Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-18 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 77.593, 77.640, 81.995 |
Unit cell angles | 92.46, 90.00, 119.98 |
Refinement procedure
Resolution | 38.803 - 2.100 |
Rwork | 0.204 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r7w |
RMSD bond length | 0.007 |
RMSD bond angle | 1.455 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.950 | 10.000 | 2.140 |
High resolution limit [Å] | 2.100 | 8.000 | 2.100 |
Rmerge | 0.097 | 0.061 | 0.240 |
Rmeas | 0.137 | 0.086 | 0.339 |
Rpim | 0.097 | 0.061 | 0.240 |
Number of reflections | 88998 | 601 | 4272 |
<I/σ(I)> | 7.8 | ||
Completeness [%] | 92.2 | ||
Redundancy | 2.6 | 2.7 | 2.5 |
CC(1/2) | 0.983 | 0.990 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Zinc acetate dihydrate, 0.1 M Sodium acetate pH 4.5, 10% (v/v) PEG 3000 |