4ZLO
Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-07 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.514, 79.340, 65.789 |
| Unit cell angles | 90.00, 108.11, 90.00 |
Refinement procedure
| Resolution | 52.310 - 2.500 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22240 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.500 | 2.770 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.415 | |
| Number of reflections | 21368 | |
| <I/σ(I)> | 13.3 | 2.6 |
| Completeness [%] | 98.8 | 96 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 22-27% PEG3350, 500-700MM NACL, 100MM BIS-TRIS, PH 6.5 |
