5S7R
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a
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 | 127.256, 84.862, 88.183 |
Unit cell angles | 90.00, 130.99, 90.00 |
Refinement procedure
Resolution | 63.680 - 1.460 |
R-factor | 0.1733 |
Rwork | 0.172 |
R-free | 0.19770 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6srh |
RMSD bond length | 0.013 |
RMSD bond angle | 1.835 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.600 | 66.600 | 1.560 |
High resolution limit [Å] | 1.460 | 4.670 | 1.480 |
Rmerge | 0.071 | 0.033 | 1.406 |
Rmeas | 0.077 | 0.036 | 1.629 |
Rpim | 0.030 | 0.014 | 0.803 |
Total number of observations | 639683 | 26185 | 50746 |
Number of reflections | 114822 | ||
<I/σ(I)> | 11.9 | 46.6 | 0.7 |
Completeness [%] | 87.5 | 99.9 | 76.3 |
Redundancy | 6.2 | 6.8 | 3.9 |
CC(1/2) | 0.999 | 0.999 | 0.463 |
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 |