5G1Y
S. enterica HisA mutant D10G, dup13-15,V14:2M, Q24L, G102
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 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 86.012, 86.012, 122.179 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.236 - 1.798 |
| R-factor | 0.1684 |
| Rwork | 0.166 |
| R-free | 0.21010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g1t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| 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 | 0.100 | 0.490 |
| Number of reflections | 25362 | |
| <I/σ(I)> | 19 | 2 |
| Completeness [%] | 99.5 | 93.2 |
| Redundancy | 13.3 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.2M AMMONIUM SULPHATE, 0.1M NA ACETATE PH4.6, 25%W/V PEG4000 |
