5AHE
Crystal structure of Salmonella enterica HisA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-18 |
Detector | MARRESEARCH CHESS |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 86.769, 86.769, 121.530 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.250 - 1.700 |
R-factor | 0.1758 |
Rwork | 0.174 |
R-free | 0.20620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | A MUTANT SALMONELLA ENTERICA HISA WAS USED WHICH IN TURN HAD BEEN SOLVED USING 4GJ1 AS SEARCH MODEL. |
RMSD bond length | 0.008 |
RMSD bond angle | 1.105 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.250 | 1.750 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.100 | 1.270 |
Number of reflections | 30376 | |
<I/σ(I)> | 21.81 | 2.82 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.1 | 19.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | PROTEIN WAS CRYSTALLIZED IN 0.1 M HEPES PH 7.5, 0.8 M NAH2PO4 AND 0.8 M KH2PO4. |