5I3R
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976250 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.433, 78.433, 255.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.710 - 2.400 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4w9w |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.550 |
High resolution limit [Å] | 2.400 |
Number of reflections | 32194 |
<I/σ(I)> | 9.1 |
Completeness [%] | 99.8 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293.15 | 20% PEG 8000; 0.2 M Ammonium chloride; 10% Ethyleneglycol; 0.1M MES pH 6.0 |