5FIW
CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE AT 1.7 ANGSTROMS RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-03 |
| Detector | DECTRIS PILATUS CBF |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.160, 105.160, 225.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.310 - 1.700 |
| R-factor | 0.16444 |
| Rwork | 0.163 |
| R-free | 0.19267 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cxp |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.770 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.900 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 1.240 |
| Number of reflections | 138420 | |
| <I/σ(I)> | 13.3 | 1.08 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 8.4 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 15% PEG 3350, 100 MM NACL, pH 6 |
