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 |
