Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2018-10-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.300, 75.860, 86.870 |
Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
Resolution | 34.700 - 2.250 |
R-factor | 0.2033 |
Rwork | 0.200 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.545 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.814 | 2.035 |
High resolution limit [Å] | 2.028 | 2.028 |
Rmerge | 0.095 | 1.696 |
Rmeas | 0.113 | 2.184 |
Rpim | 0.061 | 1.347 |
Total number of observations | 531 | |
Number of reflections | 65504 | 214 |
<I/σ(I)> | 6.7 | 0.6 |
Completeness [%] | 89.9 | |
Redundancy | 3.3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 292 | 0.1 M Tris-HCl, pH 8.5, 0.25 M sodium tartrate and 12% PEG 8000 |