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 | 2021-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.565, 158.451, 180.669 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 119.130 - 2.370 |
R-factor | 0.2297 |
Rwork | 0.229 |
R-free | 0.25410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d88 |
RMSD bond angle | 15.950 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 119.130 | 2.490 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.113 | 0.802 |
Rmeas | 0.121 | 0.858 |
Rpim | 0.044 | 0.302 |
Total number of observations | 930917 | 139445 |
Number of reflections | 123783 | 17877 |
<I/σ(I)> | 10.9 | 2.5 |
Completeness [%] | 99.9 | |
Redundancy | 7.5 | 7.8 |
CC(1/2) | 0.996 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6% PEG 4000, 5% Glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2 |