2X7F
Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor
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 | 2008-11-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.972, 79.074, 214.159 |
| Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
| Resolution | 44.320 - 2.800 |
| R-factor | 0.2102 |
| Rwork | 0.209 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3com |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.850 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.080 | 0.880 |
| Number of reflections | 44037 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 4.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 150 MM NA-MALONATE (PH 7.0), 25% (W/V) PEG 3350, 5% (V/V) ETHYLENE GLYCOL, 100 MM BIS-TRIS-PROPANE (PH 9.5) |
