5UZU
Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.034, 92.944, 80.394 |
| Unit cell angles | 90.00, 120.14, 90.00 |
Refinement procedure
| Resolution | 43.342 - 2.403 |
| R-factor | 0.1869 |
| Rwork | 0.184 |
| R-free | 0.24140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cxp |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.605 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (dev-2666) |
| Refinement software | PHENIX ((dev_2666: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.146 | 0.061 | 0.858 |
| Rmeas | 0.156 | 0.065 | 0.930 |
| Rpim | 0.056 | 0.024 | 0.353 |
| Total number of observations | 240689 | ||
| Number of reflections | 31978 | ||
| <I/σ(I)> | 7 | ||
| Completeness [%] | 99.8 | 100 | 98.3 |
| Redundancy | 7.5 | 7.6 | 6.4 |
| CC(1/2) | 0.994 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% w/v PEG-3350 0.2M ammonium citrate, pH 7.0 |
