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 | 105.370, 158.307, 180.655 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.560 - 2.530 |
R-factor | 0.2233 |
Rwork | 0.222 |
R-free | 0.26610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d88 |
RMSD bond angle | 16.521 |
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] | 91.020 | 2.670 |
High resolution limit [Å] | 2.530 | 2.530 |
Number of reflections | 100212 | 14523 |
<I/σ(I)> | 13 | |
Completeness [%] | 98.9 | |
Redundancy | 7.5 | |
CC(1/2) | 0.998 | 0.829 |
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 |