3PXK
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH Pyrrolo[2,3-d]thiazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-03-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.431, 50.873, 66.894 |
| Unit cell angles | 98.16, 101.98, 93.54 |
Refinement procedure
| Resolution | 26.210 - 1.790 |
| R-factor | 0.1854 |
| Rwork | 0.184 |
| R-free | 0.21630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mp8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.200 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.035 | 0.206 |
| Number of reflections | 51111 | |
| <I/σ(I)> | 20 | 4.2 |
| Completeness [%] | 94.0 | 88.8 |
| Redundancy | 3.52 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | 0.1M Tris 16% PEG 3350 , pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
