3H9R
Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9050 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.349, 62.345, 171.597 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.150 - 2.350 |
R-factor | 0.19022 |
Rwork | 0.187 |
R-free | 0.25594 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1A7X CHAIN A 1B6C CHAIN B |
RMSD bond length | 0.015 |
RMSD bond angle | 1.469 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.150 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.160 | 0.684 |
Number of reflections | 20161 | |
<I/σ(I)> | 7.4 | 2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 30% PEG 3350; 0.25M Ammonium sulphate; 0.1M Bis-Tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |