4BGG
Crystal structure of the ACVR1 kinase in complex with LDN-213844
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-21 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 85.380, 99.850, 187.438 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 52.970 - 2.560 |
| R-factor | 0.21685 |
| Rwork | 0.215 |
| R-free | 0.24720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q4u |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.615 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.910 | 2.640 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.060 | 0.310 |
| Number of reflections | 49502 | |
| <I/σ(I)> | 10.9 | 3.2 |
| Completeness [%] | 97.0 | 98.5 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M AMMONIUM CITRATE, 20%(W/V) PEG 3350 |
