4X69
Crystal structure of OP0595 complexed with CTX-M-44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-02-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.533, 72.982, 63.052 |
| Unit cell angles | 90.00, 109.29, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.420 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iys |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.276 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.070 | 0.455 |
| Number of reflections | 81658 | |
| <I/σ(I)> | 24.195 | 2.173 |
| Completeness [%] | 98.1 | 80.5 |
| Redundancy | 3.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | PEG 6000 |
