5S7U
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a
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 | 128.377, 84.481, 89.111 |
Unit cell angles | 90.00, 131.52, 90.00 |
Refinement procedure
Resolution | 66.720 - 1.590 |
R-factor | 0.2193 |
Rwork | 0.217 |
R-free | 0.26080 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6srh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.517 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.990 | 1.620 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.058 | 2.647 |
Rmeas | 0.063 | 2.974 |
Rpim | 0.024 | 1.314 |
Total number of observations | 456344 | 70892 |
Number of reflections | 85393 | 4373 |
<I/σ(I)> | 12.8 | 0.5 |
Completeness [%] | 82.8 | 91.56 |
Redundancy | 6.7 | 4.7 |
CC(1/2) | 1.000 | 0.280 |
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 |