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 |