5G2O
Yersinia pestis FabV variant T276A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 103.156, 103.156, 84.385 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.668 - 1.900 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bkr |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.722 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.670 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 1.080 |
| Number of reflections | 41201 | |
| <I/σ(I)> | 15.7 | 1.7 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 150 MM (NH4)2SO4 25-38% PEG 4000 100 MM MES PH 5.5 |
