6A19
Mandelate oxidase mutant-Y128F with Benzoylformic 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 | 2015-12-03 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 137.727, 137.727, 112.359 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.550 |
R-factor | 0.15772 |
Rwork | 0.157 |
R-free | 0.17342 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sgz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.460 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.036 | 0.750 |
Rpim | 0.021 | 0.310 |
Number of reflections | 78088 | 7718 |
<I/σ(I)> | 32.9 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.6 | 9.2 |
CC(1/2) | 0.823 |
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 |