4XJ7
Crystal Structure of E112A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium soaked with AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.620, 95.780, 94.750 |
| Unit cell angles | 90.00, 100.07, 90.00 |
Refinement procedure
| Resolution | 24.890 - 1.600 |
| R-factor | 0.17663 |
| Rwork | 0.175 |
| R-free | 0.20798 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ryu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.663 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.890 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.595 | |
| Number of reflections | 184243 | |
| <I/σ(I)> | 12.1 | 1.8 |
| Completeness [%] | 99.2 | 98.3 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 293 | 0.2M sodium citrate tribasic dihydrate, 0.1M Tris (pH 8.5), 30% PEG 400 |
