5KBR
Pak1 in complex with 7-azaindole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.818, 81.827, 65.914 |
Unit cell angles | 90.00, 107.05, 90.00 |
Refinement procedure
Resolution | 63.020 - 2.360 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p90 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.180 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.830 | 2.490 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.057 | 0.850 |
Number of reflections | 25829 | |
<I/σ(I)> | 12.3 | 1.4 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 4.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 0.2M ammonium sulphate, 16% PEG 3350, 0.1M Hepes (pH 7.6) |