5ZZS
The crystal structure of Mandelate oxidase with benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-29 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 137.938, 137.938, 111.756 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.398 |
R-factor | 0.165 |
Rwork | 0.164 |
R-free | 0.18380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sgz |
RMSD bond length | 0.015 |
RMSD bond angle | 1.365 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX ((1.11.1_2575)) |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.450 |
High resolution limit [Å] | 1.398 | 1.398 |
Rmerge | 0.039 | 0.674 |
Number of reflections | 104389 | 10392 |
<I/σ(I)> | 32.3 | 2.9 |
Completeness [%] | 99.0 | 99.7 |
Redundancy | 9.7 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 35% Tascimate, 0.1M Bis-Tris propane pH 7.0 |