2VTV

PhaZ7 depolymerase from Paucimonas lemoignei


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1MICRODIALYSISMICRODIALYSIS, PH 10.5, NACL 150 MM
Crystal Properties
Matthews coefficientSolvent content
2.243.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 176.383α = 90
b = 46.38β = 99.78
c = 85.779γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE X11EMBL/DESY, HAMBURGX11

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
11.99999.70.0630.11553749-3
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)
11.91.93940.226.5

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 DIFFRACTIONMIRTHROUGHOUT1.987.0451068260999.30.1450.1420.188RANDOM18.46
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]
0.59-0.2-0.80.14
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.737
r_dihedral_angle_4_deg20.355
r_dihedral_angle_3_deg11.423
r_dihedral_angle_1_deg5.927
r_scangle_it2.068
r_scbond_it1.666
r_angle_refined_deg1.227
r_mcangle_it1.012
r_mcbond_it0.616
r_nbtor_refined0.311
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.737
r_dihedral_angle_4_deg20.355
r_dihedral_angle_3_deg11.423
r_dihedral_angle_1_deg5.927
r_scangle_it2.068
r_scbond_it1.666
r_angle_refined_deg1.227
r_mcangle_it1.012
r_mcbond_it0.616
r_nbtor_refined0.311
r_nbd_refined0.196
r_symmetry_hbond_refined0.16
r_xyhbond_nbd_refined0.146
r_chiral_restr0.102
r_bond_refined_d0.011
r_gen_planes_refined0.005
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_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 Atoms5058
Nucleic Acid Atoms
Solvent Atoms1001
Heterogen Atoms6

Software

Software
Software NamePurpose
REFMACrefinement
SHARPphasing