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 | 2019-07-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 97.778, 97.500, 81.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.937 - 2.760 |
Rwork | 0.199 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5emo |
RMSD bond length | 0.008 |
RMSD bond angle | 1.849 |
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] | 48.937 | 2.860 |
High resolution limit [Å] | 2.760 | 2.760 |
Number of reflections | 19107 | 1894 |
<I/σ(I)> | 14.5 | |
Completeness [%] | 94.0 | |
Redundancy | 3.8 | |
CC(1/2) | 0.999 | 0.483 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.8 M ammonium sulfate, 0.1 M sodium iodide |