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 | 88.366, 117.573, 212.531 |
Unit cell angles | 77.65, 85.34, 70.01 |
Refinement procedure
Resolution | 44.570 - 2.900 |
R-factor | 0.2236 |
Rwork | 0.220 |
R-free | 0.29470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.255 |
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] | 48.730 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.160 | 0.840 |
Rmeas | 0.227 | 1.188 |
Rpim | 0.160 | 0.840 |
Number of reflections | 167016 | 8505 |
<I/σ(I)> | 6 | 1.2 |
Completeness [%] | 95.9 | 97.9 |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.985 | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 61 mM K/Na tartrate, 18% PEG3350, 12.5 mM EDTA, 100 mM Bis-Tris (pH 7.5) |