4D5B
Crystal structure of CymA from Klebsiella oxytoca
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 140.559, 77.397, 110.792 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.047 - 1.702 |
| R-factor | 0.1678 |
| Rwork | 0.167 |
| R-free | 0.18980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4v3g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.125 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 1.030 |
| Number of reflections | 133006 | |
| <I/σ(I)> | 15 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | MORPHEUS 1/30. 0.09 M NPS, 0.1 M BUFFER SYSTEM 2 PH 7.5, 20% ETHYLENE GLYCOL, 10% PEG 8000 |
