2J51
Crystal structure of Human STE20-like kinase bound to 5-Amino-3-((4-(aminosulfonyl)phenyl)amino) -N-(2,6-difluorophenyl)-1H-1,2,4-triazole- 1-carbothioamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-16 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 101.195, 101.195, 177.173 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.000 - 2.100 |
R-factor | 0.202 |
Rwork | 0.201 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u5r |
RMSD bond length | 0.013 |
RMSD bond angle | 1.540 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.260 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.080 | 0.810 |
Number of reflections | 32094 | |
<I/σ(I)> | 16 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.9 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 16% PEG3350, 0.15M KSCN, 10% ETG, 0.1M BTP PH6.5, pH 6.50 |