5S7O
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c
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 | 127.167, 84.834, 88.284 |
Unit cell angles | 90.00, 130.95, 90.00 |
Refinement procedure
Resolution | 63.660 - 1.430 |
R-factor | 0.1653 |
Rwork | 0.164 |
R-free | 0.18870 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6srh |
RMSD bond length | 0.012 |
RMSD bond angle | 1.763 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.660 | 66.660 | 1.530 |
High resolution limit [Å] | 1.430 | 4.600 | 1.450 |
Rmerge | 0.106 | 0.040 | 1.694 |
Rmeas | 0.115 | 0.043 | 1.940 |
Rpim | 0.044 | 0.016 | 0.922 |
Total number of observations | 734226 | 27372 | 45690 |
Number of reflections | 114287 | ||
<I/σ(I)> | 11.1 | 38.6 | 0.9 |
Completeness [%] | 92.2 | 100 | 61.7 |
Redundancy | 6.4 | 6.8 | 4.1 |
CC(1/2) | 0.998 | 0.998 | 0.464 |
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 |