4ZK5
MAP4K4 in complex with inhibitor GNE-495
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.352, 89.335, 91.011 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.700 - 2.890 |
R-factor | 0.2155 |
Rwork | 0.213 |
R-free | 0.26450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.000 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.011 | 91.011 | 3.050 |
High resolution limit [Å] | 2.890 | 9.140 | 2.890 |
Rmerge | 0.030 | 0.528 | |
Rmeas | 0.088 | ||
Rpim | 0.034 | 0.014 | 0.240 |
Total number of observations | 97652 | 3030 | 14232 |
Number of reflections | 15054 | ||
<I/σ(I)> | 17.1 | 44.7 | 3.3 |
Completeness [%] | 99.9 | 99.6 | 99.9 |
Redundancy | 6.5 | 5.5 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 292 | 0.2 M potassium citrate pH 8.3, 20% PEG 3350 |