5G5I
S. enterica HisA mutant D10G
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 | 2013-03-07 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 85.880, 85.880, 121.350 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.015 - 2.001 |
R-factor | 0.1728 |
Rwork | 0.171 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g1t |
RMSD bond length | 0.008 |
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 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.120 | 0.830 |
Number of reflections | 18463 | |
<I/σ(I)> | 17.82 | 3.35 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 11.7 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1M HEPES, PH7.5; 0.8M SODIUM DIHYDROGEN PHOSPHATE; 0.8M POTASSIUM DIHYDROGEN PHOSPHATE |