5KX8
Irak4-inhibitor co-structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.700, 139.880, 87.440 |
Unit cell angles | 90.00, 125.25, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.671 |
R-factor | 0.2056 |
Rwork | 0.204 |
R-free | 0.23270 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS (December 29, 2011) |
Data scaling software | SCALA |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.680 |
High resolution limit [Å] | 2.671 | 2.671 |
Rmerge | 0.050 | 0.576 |
Number of reflections | 39609 | |
<I/σ(I)> | 15.8 | 2.5 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 289 | 1.80 to 2.0 M Sodium Malonate, 0.2 M Sodium Acetate, 25 mM Hexamminecobalt(III)chloride, 0.05%w/v Pluronic-F-68 |