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 |