4F64 | pdb_00004f64

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1FGK	PDB ENTRY 1FGK

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP		277	16-20% PEG8000, 100 mM PCTP, 100-300 mM ammonium sulfate, 25% ethylene glycol, pH 6.25-7.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystal Properties
Matthews coefficient	Solvent content
2.65	53.66

Symmetry
Space Group	C 1 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	110	CCD	RIGAKU SATURN 92		2004-12-23	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU MICROMAX-007	1.54

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.05	61.931	96.75	0.149	0.128	6.6	2.7	46555	44839	1	1

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.05	2.16	96.06		0.572	0.504	2.2	2.7

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work (Depositor)	R-Work (DCC)	R-Free (Depositor)	R-Free (DCC)	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 1FGK	2.05	61.9	44839	42144	2248	95.36	0.21701	0.21426	0.2272	0.26912	0.2728	RANDOM	26.505

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
-2.11		-0.96	3.77		-2.24

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	36.054
r_dihedral_angle_4_deg	15.722
r_dihedral_angle_3_deg	14.372
r_dihedral_angle_1_deg	5.795
r_scangle_it	3.149
r_scbond_it	2.45
r_angle_refined_deg	1.403
r_mcangle_it	1.245
r_mcbond_it	0.915
r_angle_other_deg	0.831

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	36.054
r_dihedral_angle_4_deg	15.722
r_dihedral_angle_3_deg	14.372
r_dihedral_angle_1_deg	5.795
r_scangle_it	3.149
r_scbond_it	2.45
r_angle_refined_deg	1.403
r_mcangle_it	1.245
r_mcbond_it	0.915
r_angle_other_deg	0.831
r_mcbond_other	0.459
r_symmetry_vdw_other	0.293
r_nbd_refined	0.204
r_nbd_other	0.194
r_nbtor_refined	0.176
r_xyhbond_nbd_refined	0.159
r_symmetry_hbond_refined	0.145
r_chiral_restr	0.087
r_nbtor_other	0.084
r_symmetry_vdw_refined	0.082
r_bond_refined_d	0.014
r_bond_other_d	0.006
r_gen_planes_refined	0.005
r_gen_planes_other	0.001

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	4229
Nucleic Acid Atoms
Solvent Atoms	216
Heterogen Atoms	73

.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left: 4px; } 4F64 | pdb_00004f64