3CNW
Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
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 | 2008-02-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.758, 42.463, 201.609 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 2.480 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25800 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.097 | 0.190 |
| Number of reflections | 17694 | |
| <I/σ(I)> | 20 | 10.1 |
| Completeness [%] | 98.3 | 84.3 |
| Redundancy | 18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1M Na Acetate, 30% PEG 550 MME, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
