9NJY
Terminal two domains of ClfA002 with bound Fab of AZD7745
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.582, 66.164, 107.875 |
| Unit cell angles | 90.00, 90.58, 90.00 |
Refinement procedure
| Resolution | 25.001 - 1.580 |
| Rwork | 0.199 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.056 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.580 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.060 | |
| Number of reflections | 117495 | 1207 |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 295 | 9 mM MgCl2, 90 mM HEPES, 18% PEG 6000 (w/v), 1% Glycerol (v/v) |
