4Q5J
Crystal structure of SeMet derivative BRI1 in complex with BKI1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.715, 80.288, 80.557 |
| Unit cell angles | 90.00, 109.55, 90.00 |
Refinement procedure
| Resolution | 38.409 - 2.772 |
| R-factor | 0.2035 |
| Rwork | 0.201 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oh4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.518 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.870 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Rmerge | 0.102 | 0.556 |
| Number of reflections | 19437 | |
| <I/σ(I)> | 22.6 | 4.1 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 7.4 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 20% PEG 3350, 0.2M ithium Citrate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
