6A11
Mandelate oxidase mutant-Y128F with phenylpyruvic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-08 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 138.485, 138.485, 111.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.450 |
R-factor | 0.1691 |
Rwork | 0.168 |
R-free | 0.19070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1al7 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.433 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.041 | 0.790 |
Rpim | 0.017 | 0.270 |
Number of reflections | 95758 | 9449 |
<I/σ(I)> | 42 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.8 | 11.9 |
CC(1/2) | 0.851 |
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 |