8C12
Identification of an intermediate activation state of PAK5 reveals a novel mechanism of kinase inhibition.
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.355, 58.313, 129.472 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.169 - 1.549 |
Rwork | 0.197 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.208 |
Data reduction software | DIALS (3.8.1) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.170 | 1.580 |
High resolution limit [Å] | 1.549 | 1.550 |
Rmerge | 0.056 | 2.812 |
Rmeas | 0.059 | 2.922 |
Rpim | 0.016 | 0.783 |
Number of reflections | 64001 | 3075 |
<I/σ(I)> | 16.3 | |
Completeness [%] | 100.0 | 97.8 |
Redundancy | 13.4 | 13.4 |
CC(1/2) | 0.999 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.12 M Alcohols (0.2 M 1,6-Hexanediol, 0.2 M 1-Butanol, 0.2 M 1,2_Propanediol, 0.2 M 2-Propanol, 0.2 M 1,4-Butanediol, 0.2 M 1,3-Propanediol), 0.1 M Buffer System 2 (1.0 M Sodium HEPES, MOPS) pH 7.5, 37.5% precipitant (M1K3350) |