1C44 | pdb_00001c44

STEROL CARRIER PROTEIN 2 (SCP2) FROM RABBIT


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.5AMMONIUM SULFATE, LITHIUM SULFATE, CITRATE PH=6.5
Crystal Properties
Matthews coefficientSolvent content
2.754.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 57.486α = 90
b = 57.486β = 90
c = 86.487γ = 90
Symmetry
Space GroupP 41 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMARRESEARCH1998-08-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE BW7BEMBL/DESY, HAMBURGBW7B

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
11.81899.94.935.67.414102
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
1.81.8299.836.25.67.1

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMIRAS1.81021399369399.90.1750.20.2440.25RANDOM30.2
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]
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor17
p_staggered_tor16.2
p_scangle_it6.004
p_mcangle_it4.691
p_planar_tor4.6
p_scbond_it4.43
p_mcbond_it3.868
p_multtor_nbd0.301
p_xyhbond_nbd0.199
p_singtor_nbd0.197
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor17
p_staggered_tor16.2
p_scangle_it6.004
p_mcangle_it4.691
p_planar_tor4.6
p_scbond_it4.43
p_mcbond_it3.868
p_multtor_nbd0.301
p_xyhbond_nbd0.199
p_singtor_nbd0.197
p_chiral_restr0.146
p_planar_d0.038
p_angle_d0.032
p_plane_restr0.02
p_bond_d0.017
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms965
Nucleic Acid Atoms
Solvent Atoms140
Heterogen Atoms

Software

Software
Software NamePurpose
SOLVEphasing
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling