5G4W
S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2014-09-12 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 87.012, 87.012, 120.457 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.047 - 2.300 |
| R-factor | 0.2021 |
| Rwork | 0.199 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g1t |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.792 |
| 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 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.270 | 1.180 |
| Number of reflections | 22042 | |
| <I/σ(I)> | 8.52 | 1.76 |
| Completeness [%] | 97.3 | 97.2 |
| Redundancy | 7.7 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 2 M AMMONIUM PHOSPHATE MONOBASIC, 0.1 M TRIS PH 8.5 |
