3OAJ
CRYSTAL STRUCTURE OF putative dioxygenase from Bacillus subtilis subsp. subtilis str. 168
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.215, 86.181, 72.968 |
| Unit cell angles | 90.00, 91.65, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.400 |
| R-factor | 0.1819 |
| Rwork | 0.180 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zsw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.263 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.057 | 0.026 | 0.697 |
| Number of reflections | 112088 | ||
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 91.9 | 90.4 | 71 |
| Redundancy | 5.3 | 5.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 30% PEG4000, 0.2 M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
