7PQ9
Crystal structure of Bacillus clausii pdxR at 2.8 Angstroms resolution
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 250.840, 250.840, 370.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 125.735 - 2.800 |
Rwork | 0.209 |
R-free | 0.25370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mgr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.706 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.420 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 164628 | 12078 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 98.6 | |
Redundancy | 25.1 | |
CC(1/2) | 0.999 | 0.279 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 291 | 33% (vol/vol) PEG400, 200 mM calcium acetate, and 200 mM imidazole, pH7.5. |