4EQU
Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-26 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.810, 49.040, 133.760 |
| Unit cell angles | 90.00, 101.42, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.2242 |
| Rwork | 0.223 |
| R-free | 0.24640 |
| Structure solution method | MIR |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.393 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | BALBES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.586 | 60.586 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.039 | 0.644 | |
| Total number of observations | 6927 | 21729 | |
| Number of reflections | 51438 | ||
| <I/σ(I)> | 6.8 | 14.9 | 1.2 |
| Completeness [%] | 96.4 | 98.6 | 82.5 |
| Redundancy | 4 | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.25 | 277 | 0.1 M NaCacodylate pH 6.25, 0.24 M CaAcetate, 50% PEG 300, vapor diffusion, sitting drop, temperature 277K |
