3OMS
Putative 3-demethylubiquinone-9 3-methyltransferase, PhnB protein, from Bacillus cereus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-11 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.302, 62.302, 90.654 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.700 - 1.900 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.21290 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.550 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.700 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.138 | 0.115 | 0.856 |
| Number of reflections | 14643 | ||
| <I/σ(I)> | 7.7 | 3.09 | |
| Completeness [%] | 99.8 | 97.8 | 100 |
| Redundancy | 15.8 | 11.6 | 17.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 294 | 40% PEG-300, 0.1 M phoshate citrate buffer, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
