6E2O
ASK1 kinase domain complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 39.632, 106.637, 156.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.856 - 2.389 |
R-factor | 0.2168 |
Rwork | 0.213 |
R-free | 0.26760 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.124 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.084 | 0.509 |
Number of reflections | 61441 | 1990 |
<I/σ(I)> | 13.7 | 1.9 |
Completeness [%] | 99.0 | 92.5 |
Redundancy | 5.3 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24% PEG 400, 3% PPE 400, 100mM Bis-Tris pH 7.5, 10mM TCEP |