5G2W
S. enterica HisA mutant D10G, G102A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 85.960, 85.960, 121.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.079 - 2.099 |
| R-factor | 0.1702 |
| Rwork | 0.168 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g1t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.073 |
| 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] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.620 |
| Number of reflections | 16100 | |
| <I/σ(I)> | 29.22 | 5.26 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 17.2 | 17.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.15 | 0.2M AMMONIUM ACETATE, 0.1M SODIUM ACETATE, PH 5.15, 20% PEG4000 |
