2CZ2

Crystal structure of glutathione transferase zeta 1-1 (maleylacetoacetate isomerase) from Mus musculus (form-1 crystal)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.5293sodium citrate, sodium cacodylate, dithiothreitol, sodium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
2.2343.9

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 49.967α = 90
b = 152.134β = 90
c = 57.051γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATERIGAKU RAXIS V2005-05-17MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSPRING-8 BEAMLINE BL26B11.00000SPring-8BL26B1

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
11.45042592

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 DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1.45040428215298.530.157450.15540.19618RANDOM11.889
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]
-0.270.95-0.68
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it5.624
r_dihedral_angle_1_deg5.538
r_scbond_it3.731
r_mcangle_it2.114
r_angle_refined_deg1.516
r_mcbond_it1.398
r_angle_other_deg0.918
r_symmetry_hbond_refined0.342
r_symmetry_vdw_other0.274
r_chiral_restr0.244
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it5.624
r_dihedral_angle_1_deg5.538
r_scbond_it3.731
r_mcangle_it2.114
r_angle_refined_deg1.516
r_mcbond_it1.398
r_angle_other_deg0.918
r_symmetry_hbond_refined0.342
r_symmetry_vdw_other0.274
r_chiral_restr0.244
r_nbd_other0.243
r_nbd_refined0.242
r_xyhbond_nbd_refined0.207
r_symmetry_vdw_refined0.199
r_nbtor_other0.082
r_bond_refined_d0.015
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_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1674
Nucleic Acid Atoms
Solvent Atoms190
Heterogen Atoms26

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
MOLREPphasing