4V3G
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 | 2013-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.594, 105.226, 111.815 |
| Unit cell angles | 90.00, 97.97, 90.00 |
Refinement procedure
| Resolution | 48.998 - 2.513 |
| R-factor | 0.1958 |
| Rwork | 0.192 |
| R-free | 0.25250 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.156 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.340 |
| Number of reflections | 32944 | |
| <I/σ(I)> | 33.5 | 5.7 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 13.7 | 13.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | MOLECULAR DIMENSIONS MORPHEUS 1/35 OPTIMIZED, pH 8.5 |
