2YJH
Thiol Peroxidase from Yersinia Psuedotuberculosis, inactive mutant C61S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 64 |
| Unit cell lengths | 65.030, 65.030, 85.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.320 - 2.550 |
| R-factor | 0.31286 |
| Rwork | 0.312 |
| R-free | 0.33661 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xpd |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.772 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.320 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.110 | 0.570 |
| Number of reflections | 6151 | |
| <I/σ(I)> | 11.6 | 3.1 |
| Completeness [%] | 99.2 | 72.6 |
| Redundancy | 9.8 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.6 | 12% PEG 3350, 0.05 M NA, HEPES PH 7.0, 1% TRYPTONE |
