Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-05-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978520 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 107.350, 160.780, 184.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.150 - 2.860 |
R-factor | 0.2099 |
Rwork | 0.209 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.125 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.150 | 2.930 |
High resolution limit [Å] | 2.860 | 2.860 |
Number of reflections | 74485 | 5466 |
<I/σ(I)> | 10.4 | |
Completeness [%] | 99.9 | |
Redundancy | 13.3 | |
CC(1/2) | 0.994 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6% PEG 4000, 5% glycerol, 0.1M MES, 30mM CaCl2, 30mM MgCl2, pH 6.7 |