5AB3
S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 61.196, 61.196, 391.887 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.109 - 1.803 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ahf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.097 |
| 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 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.970 |
| Number of reflections | 80382 | |
| <I/σ(I)> | 15.6 | 2.4 |
| Completeness [%] | 99.9 | 88 |
| Redundancy | 9.4 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | P550MME_P20K 30.0%; SODIUM HEPES; MOPS (ACID), 0.1M, PH7.5; MGCL2; CACL2 0.06M |
