3HT4
Crystal Structure of the Q81A77_BACCR Protein from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR213
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 | 2008-08-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97879 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.406, 144.993, 131.973 |
| Unit cell angles | 90.00, 106.24, 90.00 |
Refinement procedure
| Resolution | 46.190 - 2.900 |
| R-factor | 0.274 |
| Rwork | 0.274 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fd0 chain A |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.113 | 0.297 |
| Number of reflections | 131282 | |
| <I/σ(I)> | 6.7 | 2.2 |
| Completeness [%] | 90.8 | 91.6 |
| Redundancy | 1.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch crystallization under parafin oil | 6.15 | 291 | 20% PEG 3350, 0.15M Malic acid, pH 6.15, Microbatch crystallization under parafin oil, temperature 291K |
