3B55
Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus. NESG target BcR135
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.893, 67.710, 119.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.060 - 2.300 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.21400 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.116 | 0.364 |
| Number of reflections | 34998 | |
| <I/σ(I)> | 21.8 | 6.3 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.4 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% PEG 3350, 0.2M Calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
