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 |
