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 |
