2P5I
Crystal structure of protein BH3822 from Bacillus halodurans, a member of the biotin/lipoate A/B protein ligase family
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97950 |
Spacegroup name | P 65 |
Unit cell lengths | 87.715, 87.715, 78.878 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 2.210 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.26300 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.290 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.165 | 0.631 |
Number of reflections | 17318 | |
<I/σ(I)> | 7.3 | 1 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 19.9 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES pH 7.5, 20% PEG 10000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |