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 |