Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.033, 84.539, 77.673 |
Unit cell angles | 90.00, 113.59, 90.00 |
Refinement procedure
Resolution | 51.390 - 1.434 |
Rwork | 0.167 |
R-free | 0.19860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ixi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.390 | 1.605 |
High resolution limit [Å] | 1.434 | 1.434 |
Number of reflections | 54843 | 2742 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 65.9 | |
Redundancy | 3.3 | |
CC(1/2) | 0.999 | 0.585 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 291 | 1.0 M sodium citrate tribasic dihydrate, 0.1 M sodium cacodylate pH 6.5) Crystal was soaked in 15% w/v of D-xylose |