Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2017-04-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 51.483, 56.998, 61.527 |
Unit cell angles | 86.67, 85.37, 66.70 |
Refinement procedure
Resolution | 30.650 - 2.180 |
R-factor | 0.1756 |
Rwork | 0.173 |
R-free | 0.22790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.764 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.180 | 4.700 | 2.180 |
Rmerge | 0.129 | 0.081 | 0.383 |
Rmeas | 0.097 | 0.497 | |
Rpim | 0.052 | 0.314 | |
Number of reflections | 31988 | 3263 | 2979 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 96.2 | 97.9 | 90.1 |
Redundancy | 2.6 | 3.1 | 2 |
CC(1/2) | 0.990 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M Tris-HCl, pH 8.5, 0.25 M sodium tartrate and 12% PEG 8000 |