2C6P

Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.2520 MM HEPES PH 7.25, 200 MM NACL, 5% (W/V) PEG 400 AND 15% (W/V) PEG 1500
Crystal Properties
Matthews coefficientSolvent content
3.5464.98

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 102.573α = 90
b = 130.365β = 90
c = 159.414γ = 90
Symmetry
Space GroupI 2 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray261CCDMARRESEARCH2003-12-01MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE X13EMBL/DESY, HAMBURGX13

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
12.447.1442414-3

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONOTHERTHROUGHOUT2.3947.1440228106797.30.20.1980.251RANDOM44.43
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]
0.98-2.731.74
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg7.447
r_scangle_it3.659
r_scbond_it2.122
r_angle_refined_deg1.714
r_mcangle_it1.652
r_angle_other_deg0.944
r_mcbond_it0.883
r_symmetry_hbond_refined0.341
r_symmetry_vdw_other0.246
r_nbd_other0.242
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg7.447
r_scangle_it3.659
r_scbond_it2.122
r_angle_refined_deg1.714
r_mcangle_it1.652
r_angle_other_deg0.944
r_mcbond_it0.883
r_symmetry_hbond_refined0.341
r_symmetry_vdw_other0.246
r_nbd_other0.242
r_nbd_refined0.227
r_symmetry_vdw_refined0.165
r_xyhbond_nbd_refined0.152
r_chiral_restr0.102
r_nbtor_other0.091
r_bond_refined_d0.016
r_gen_planes_refined0.007
r_gen_planes_other0.004
r_bond_other_d0.002
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_nbtor_refined
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 Atoms5155
Nucleic Acid Atoms
Solvent Atoms87
Heterogen Atoms132

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling