Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 92.161, 92.365, 92.391 |
Unit cell angles | 120.12, 98.91, 108.97 |
Refinement procedure
Resolution | 46.121 - 1.370 |
Rwork | 0.187 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.310 | 2.030 |
High resolution limit [Å] | 1.370 | 1.370 |
Number of reflections | 482862 | 284282 |
<I/σ(I)> | 8.69 | |
Completeness [%] | 90.4 | |
Redundancy | 1.2 | |
CC(1/2) | 0.970 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 290 | TRIS-HCl |