5S7Z
XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b
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 | 2020-01-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.941, 84.689, 87.734 |
Unit cell angles | 90.00, 130.87, 90.00 |
Refinement procedure
Resolution | 66.350 - 1.300 |
R-factor | 0.1629 |
Rwork | 0.162 |
R-free | 0.18410 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6srh |
RMSD bond length | 0.016 |
RMSD bond angle | 1.779 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.430 | 66.430 | 1.330 |
High resolution limit [Å] | 1.300 | 3.540 | 1.300 |
Rmerge | 0.060 | 0.029 | 1.119 |
Number of reflections | 121522 | ||
<I/σ(I)> | 15.7 | 64.3 | 0.3 |
Completeness [%] | 71.2 | 100 | 4.8 |
CC(1/2) | 1.000 | 1.000 | 0.370 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate |