3ZS0
Human Myeloperoxidase inactivated by TX2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-28 |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.905, 64.111, 111.452 |
| Unit cell angles | 90.00, 97.12, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.17203 |
| Rwork | 0.170 |
| R-free | 0.20682 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cxp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.979 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.630 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.260 |
| Number of reflections | 62502 | |
| <I/σ(I)> | 11.9 | 3.4 |
| Completeness [%] | 93.2 | 71.6 |
| Redundancy | 3.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | pH 5.5 |
