2IXD
Crystal structure of the putative deacetylase BC1534 from Bacillus cereus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-02 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 75.892, 75.892, 404.699 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.810 - 1.800 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uan |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.429 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.800 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 40471 | |
| <I/σ(I)> | 18.3 | 3.5 |
| Completeness [%] | 92.3 | 65.4 |
| Redundancy | 7.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 14-26% MPD, 100 MM ACETATE BUFFER, PH 5.0 |
