4W4S
Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum in complex with BPH-629
Replaces: 3W3HExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 41 |
| Unit cell lengths | 65.776, 65.776, 135.693 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23500 |
| Structure solution method | MIR |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.039 | 0.390 |
| Number of reflections | 38697 | |
| <I/σ(I)> | 29.2 | |
| Completeness [%] | 94.6 | 94.6 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 0.7M AMMONIUM TARTRATE DIBASIC PH 7.0, 2-4% W/V PEG 4000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K |
