1EAV

Crystal Structures of Human Gephyrin and Plant Cnx1 G domains - Comparative Analysis and Functional Implications


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.51.4 M SODIUM ACETATE 0.1 M SODIUM CACODYLATE, PH 6.5
Crystal Properties
Matthews coefficientSolvent content
3.361.84

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 175.303α = 90
b = 175.303β = 90
c = 175.303γ = 90
Symmetry
Space GroupP 21 3

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCHPLANAR MIRROR AND TOROIDAL MIRROR2000-05-15MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONMPG/DESY, HAMBURG BEAMLINE BW60.9790, 0.97940, 0.9500, 1.0448MPG/DESY, HAMBURGBW6

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge 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
12.62790.80.0624.72.747553
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.62.7475.50.1594.31.7

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMADTHROUGHOUT2.62747553258290.80.2230.251RANDOM
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
r_scangle_it6.403
r_scbond_it3.655
r_angle_other_deg2.499
r_mcangle_it2.403
r_mcbond_it1.272
r_dihedral_angle_3_deg1.112
r_symmetry_vdw_refined0.345
r_symmetry_vdw_other0.285
r_nbd_refined0.282
r_nbd_other0.25
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it6.403
r_scbond_it3.655
r_angle_other_deg2.499
r_mcangle_it2.403
r_mcbond_it1.272
r_dihedral_angle_3_deg1.112
r_symmetry_vdw_refined0.345
r_symmetry_vdw_other0.285
r_nbd_refined0.282
r_nbd_other0.25
r_symmetry_hbond_refined0.178
r_xyhbond_nbd_refined0.158
r_chiral_restr0.131
r_bond_refined_d0.032
r_gen_planes_refined0.008
r_gen_planes_other0.004
r_bond_other_d0.002
r_angle_refined_deg
r_dihedral_angle_1_deg
r_dihedral_angle_2_deg
r_dihedral_angle_4_deg
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms9450
Nucleic Acid Atoms
Solvent Atoms51
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
SOLVEphasing