5ZZZ
The crystal structure of Mandelate oxidase Y128C with benzoyl-formic 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 | 2017-10-06 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 138.229, 138.229, 112.134 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.109 - 1.446 |
R-factor | 0.1757 |
Rwork | 0.175 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sgz |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.500 |
High resolution limit [Å] | 1.446 | 1.446 |
Rmerge | 0.044 | 0.754 |
Number of reflections | 95971 | 9495 |
<I/σ(I)> | 33.5 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.9 | 9.9 |
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 |