Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 136.726, 237.593, 82.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 118.797 - 3.333 |
Rwork | 0.217 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5emo |
RMSD bond length | 0.008 |
RMSD bond angle | 2.025 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 188.800 | 3.350 |
High resolution limit [Å] | 3.310 | 3.330 |
Number of reflections | 19923 | 2867 |
<I/σ(I)> | 7.1 | |
Completeness [%] | 99.5 | |
Redundancy | 3.7 | |
CC(1/2) | 0.996 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium sulfate |