Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2021-12-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 89.271, 119.656, 214.696 |
Unit cell angles | 77.86, 85.18, 69.32 |
Refinement procedure
Resolution | 44.640 - 2.700 |
R-factor | 0.2211 |
Rwork | 0.218 |
R-free | 0.27250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.251 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.410 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.184 | 1.211 |
Rmeas | 0.260 | 1.712 |
Rpim | 0.184 | 1.211 |
Number of reflections | 213547 | 10553 |
<I/σ(I)> | 5.8 | 1.3 |
Completeness [%] | 95.7 | 96 |
Redundancy | 3.6 | |
CC(1/2) | 0.977 | 0.361 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 80 mM K/Na tartrate, 18% PEG3350, 10 mM EDTA, 100 mM Bis-Tris (pH 7.5) |