2FN4 | pdb_00002fn4

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2ERY	2ERY.pdb

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.6M Na/KPO4, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystal Properties
Matthews coefficient	Solvent content
2.07	40.67

Symmetry
Space Group	P 31 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	MARMOSAIC 225 mm CCD		2005-12-09	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SLS BEAMLINE X10SA	1.00008	SLS	X10SA

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (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	1.65	50	95.7		6.1		20362

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.65	1.71	100			5.1

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 (All)	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	2ERY.pdb	1.65	37.4	19180	19180	1039	95.69	0.2165	0.2165	0.21468	0.22	0.2506	0.26	RANDOM	30.889

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]
0.33	0.16		0.33		-0.49

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	29.789
r_dihedral_angle_4_deg	15.926
r_dihedral_angle_3_deg	13.135
r_dihedral_angle_1_deg	6.168
r_scangle_it	2.585
r_scbond_it	1.741
r_angle_refined_deg	1.39
r_mcangle_it	1.077
r_angle_other_deg	0.936
r_mcbond_it	0.776

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	29.789
r_dihedral_angle_4_deg	15.926
r_dihedral_angle_3_deg	13.135
r_dihedral_angle_1_deg	6.168
r_scangle_it	2.585
r_scbond_it	1.741
r_angle_refined_deg	1.39
r_mcangle_it	1.077
r_angle_other_deg	0.936
r_mcbond_it	0.776
r_symmetry_vdw_other	0.224
r_nbd_refined	0.211
r_nbd_other	0.205
r_mcbond_other	0.198
r_symmetry_vdw_refined	0.184
r_symmetry_hbond_refined	0.183
r_nbtor_refined	0.179
r_xyhbond_nbd_refined	0.163
r_metal_ion_refined	0.16
r_chiral_restr	0.088
r_nbtor_other	0.083
r_bond_refined_d	0.012
r_gen_planes_refined	0.005
r_bond_other_d	0.002
r_gen_planes_other	0.001

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	1344
Nucleic Acid Atoms
Solvent Atoms	94
Heterogen Atoms	29

.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left: 4px; } 2FN4 | pdb_00002fn4