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 | 2018-12-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.349, 132.361, 77.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.180 - 1.326 |
Rwork | 0.200 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hmz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.777 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.180 | 1.433 |
High resolution limit [Å] | 1.326 | 1.326 |
Number of reflections | 36601 | 1824 |
<I/σ(I)> | 10 | |
Completeness [%] | 74.0 | 20.8 |
Redundancy | 6.3 | |
CC(1/2) | 0.996 | 0.304 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 291 | 10% PEG 6,000, 30% PEG 300, 100 mM CaCl2, 50 mM Tris pH 7.0 |