5I3O
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 | 2015-06-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.249, 78.249, 255.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.710 - 2.400 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w9w |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS (March 1, 2015) |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.560 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.048 | |
| Number of reflections | 31839 | |
| <I/σ(I)> | 7 | 0.3 |
| Completeness [%] | 99.5 | 96.6 |
| Redundancy | 6.3 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293.15 | 0.1M MES pH 6; 0.2M ammonium chloride, 20% PEG 8000, 10% ethylene glycol |
