4LY9
Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-20 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 148.869, 148.869, 132.397 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.870 - 2.350 |
R-factor | 0.21654 |
Rwork | 0.214 |
R-free | 0.26999 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.842 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.870 |
High resolution limit [Å] | 2.350 |
Number of reflections | 65340 |
Completeness [%] | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M bis-tris, 0.2M NaI, 16% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |