Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-08-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 93.515, 93.515, 177.817 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.990 - 2.480 |
R-factor | 0.22119 |
Rwork | 0.219 |
R-free | 0.26818 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.985 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.990 | 2.850 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.148 | 1.546 |
Rmeas | 0.153 | 1.598 |
Rpim | 0.040 | 0.399 |
Number of reflections | 16422 | 820 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 93.6 | |
Redundancy | 14.9 | |
CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.1 M Ammonium Sulphate 0.1 M HEPES pH 7.5 0.7% n-octyl-beta-d-glucoside |