Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-06 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 85.882, 85.882, 346.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.780 - 2.350 |
R-factor | 0.20795 |
Rwork | 0.205 |
R-free | 0.26194 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.446 |
Data reduction software | Aimless |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.780 | 2.420 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.084 | 1.877 |
Number of reflections | 55489 | 4465 |
<I/σ(I)> | 26.1 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 26.3 | 25.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.15 M Ammonium sulfate,0.1 M TRIS pH 7.8, 15% w/v PEG 4000 |