5G2H
S. enterica HisA with mutation L169R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2014-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 86.017, 86.017, 122.688 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.354 - 1.900 |
| R-factor | 0.1708 |
| Rwork | 0.169 |
| R-free | 0.21190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ahe |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.192 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.180 | 0.760 |
| Number of reflections | 40024 | |
| <I/σ(I)> | 9.15 | 2.3 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 7.8 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M NA ACETATE PH 4.6, 2.3 M AMMONIUM SULFATE |
