1KRH
X-ray Structure of Benzoate Dioxygenase Reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9465 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.093, 100.682, 153.541 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.000 - 1.500 |
| R-factor | 0.241 * |
| Rwork | 0.241 |
| R-free | 0.24900 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.360 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 9.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.054 * | 0.282 * |
| Total number of observations | 666561 * | |
| Number of reflections | 109596 | |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 94.6 * | 98.1 |
| Redundancy | 7.5 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 8 * | 2M Ammonium sulphate, MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2.4 (M) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH5.8 |
| 3 | 1 | reservoir | MPD | 3 (%(v/v)) | |
| 4 | 1 | drop | protein | 7.5 (mg/ml) | |
| 5 | 1 | drop | MOPS | 0.05 (M) | pH7.0 |
