5JAQ
Yersinia pestis FabV variant T276C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979934 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 102.215, 102.215, 84.461 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.260 - 1.900 |
| R-factor | 0.1824 |
| Rwork | 0.180 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bkr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.934 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.260 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.094 | 1.061 |
| Number of reflections | 39869 | |
| <I/σ(I)> | 15.3 | 2 |
| Completeness [%] | 98.7 | 97.7 |
| Redundancy | 7.5 | 7.6 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 150 mM (NH4)2SO4 100 mM MES pH 5.6-5.9 26.5-37.5 % PEG4000 |
