5S7I
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a
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 | 127.094, 84.712, 87.911 |
Unit cell angles | 90.00, 130.95, 90.00 |
Refinement procedure
Resolution | 66.400 - 1.300 |
R-factor | 0.1577 |
Rwork | 0.157 |
R-free | 0.17650 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6srh |
RMSD bond length | 0.014 |
RMSD bond angle | 1.923 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.410 | 66.410 | 1.390 |
High resolution limit [Å] | 1.300 | 4.160 | 1.300 |
Rmerge | 0.047 | 0.024 | 0.907 |
Rmeas | 0.051 | 0.026 | 1.120 |
Rpim | 0.020 | 0.010 | 0.641 |
Total number of observations | 765395 | 36979 | 10920 |
Number of reflections | 128291 | ||
<I/σ(I)> | 17.6 | 72.9 | 0.7 |
Completeness [%] | 76.9 | 99.9 | 18.2 |
Redundancy | 6 | 6.8 | 2.5 |
CC(1/2) | 0.999 | 0.999 | 0.600 |
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 |