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 |