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) |
