4AU5
Structure of the NhaA dimer, crystallised at low pH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-24 |
Detector | MARRESEARCH MX300 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 115.800, 100.560, 141.612 |
Unit cell angles | 90.00, 97.00, 90.00 |
Refinement procedure
Resolution | 29.644 - 3.696 |
R-factor | 0.3192 |
Rwork | 0.318 |
R-free | 0.34200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ZCD -FINAL REFINEMENT DONE AGAINST 4ATV |
RMSD bond length | 0.010 |
RMSD bond angle | 1.282 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.800 |
High resolution limit [Å] | 3.700 | 3.700 |
Rmerge | 0.100 | 0.820 |
Number of reflections | 34273 | |
<I/σ(I)> | 11.7 | 1.2 |
Completeness [%] | 98.1 | 90 |
Redundancy | 3.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.8 | 0.1 M SODIUM CITRATE PH 3.8, 0.1 M LITHIUM SULPHATE, 26% PEG 400 WITH 1% HEPTYL-THIOL-B-D-GLUCOSIDE AS AN ADDITIVE |