6IA5
Crystal Structure Analysis of Bacillus subtilis 168 XepA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97722 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.612, 126.028, 151.458 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 96.880 - 1.880 |
| R-factor | 0.17374 |
| Rwork | 0.172 |
| R-free | 0.21234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i56 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.307 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.900 | 2.070 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.088 | 0.790 |
| Rpim | 0.044 | 0.319 |
| Number of reflections | 100269 | 33451 |
| <I/σ(I)> | 9.8 | 1.8 |
| Completeness [%] | 92.2 | 21.3 |
| Redundancy | 11.2 | 6.7 |
| CC(1/2) | 0.998 | 0.683 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | Mg acetate, KCl, PEG Smear High, MES |
