1XHD
X-ray crystal structure of putative acetyltransferase, product of BC4754 gene [Bacillus cereus]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-16 |
| Detector | SBC-3 |
| Wavelength(s) | 0.979295 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 142.093, 142.093, 142.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.15298 |
| Rwork | 0.152 |
| R-free | 0.16320 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.437 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.101 | 0.794 |
| Number of reflections | 37525 | |
| <I/σ(I)> | 48.4 | 2.49 |
| Completeness [%] | 99.9 | 98.1 |
| Redundancy | 41.5 | 15.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | SODIUM/POTASSIUM PHOSPHATE, PHOSPHATE CITRATE, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
