4AF2
C61S mutant of thiol peroxidase form E. coli.
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 | 2010-07-26 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 49.370, 71.750, 121.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.010 - 1.970 |
| R-factor | 0.2318 |
| Rwork | 0.229 |
| R-free | 0.28260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hvv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.970 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.110 | 0.440 |
| Number of reflections | 15679 | |
| <I/σ(I)> | 7.5 | 2.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M MGCL2, 0.1 M TRIS PH 7, 10% POLYETHYLENE GLYCOL 8000 |
