Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-19 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.99 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 225.274, 67.447, 136.880 |
Unit cell angles | 90.00, 101.71, 90.00 |
Refinement procedure
Resolution | 67.106 - 2.120 |
Rwork | 0.218 |
R-free | 0.25620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.391 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.167 | 2.157 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.159 | 1.178 |
Number of reflections | 112044 | 5684 |
<I/σ(I)> | 7.8 | |
Completeness [%] | 97.8 | |
Redundancy | 7.4 | |
CC(1/2) | 0.989 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | MPD 50.0% v/v; NH4H2PO4 0.20M; Tris-HCL 0.10M pH 8.50 |