2YLJ
Horse Radish Peroxidase, mutant S167Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-28 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.400, 67.370, 117.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.336 - 1.690 |
R-factor | 0.1542 |
Rwork | 0.152 |
R-free | 0.18880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hch |
RMSD bond length | 0.012 |
RMSD bond angle | 1.601 |
Data reduction software | xia2 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.300 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.060 | 0.420 |
Number of reflections | 36246 | |
<I/σ(I)> | 11.9 | 1.9 |
Completeness [%] | 98.3 | 86.7 |
Redundancy | 3.3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |