3ZS1
Human Myeloperoxidase inactivated by TX5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-12 |
| Detector | RIGAKU A200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.130, 63.790, 111.350 |
| Unit cell angles | 90.00, 97.32, 90.00 |
Refinement procedure
| Resolution | 110.430 - 2.600 |
| R-factor | 0.19019 |
| Rwork | 0.187 |
| R-free | 0.24446 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cxp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.818 |
| 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] | 30.790 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.140 | 0.360 |
| Number of reflections | 40244 | |
| <I/σ(I)> | 10.9 | 3.9 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 16-17% PEG3350, 100 MM NACL, pH 5.5 |
