4XGP
Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium co-crystallized and 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 | 2014-02-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.976250 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.520, 96.230, 93.940 |
| Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
| Resolution | 32.870 - 1.900 |
| R-factor | 0.19158 |
| Rwork | 0.189 |
| R-free | 0.23978 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xer |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.769 |
| 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] | 32.870 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.624 | |
| Number of reflections | 111344 | |
| <I/σ(I)> | 8.9 | 1.9 |
| Completeness [%] | 99.0 | 98.4 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 293 | 0.02 M calcium chloride, 0.1 M sodium acetate (pH 4.6) and 30 % 2-Methyl 2,4-pentanediol |
