7VYU
Crystal structure of NatS
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 | 2019-07-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97930 |
Spacegroup name | P 32 |
Unit cell lengths | 102.830, 102.830, 66.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.660 - 1.800 |
R-factor | 0.1822 |
Rwork | 0.181 |
R-free | 0.20490 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.030 | 37.030 | 1.840 |
High resolution limit [Å] | 1.800 | 9.010 | 1.800 |
Rmerge | 0.133 | 0.078 | 1.098 |
Rmeas | 0.140 | 0.082 | 1.159 |
Rpim | 0.043 | 0.024 | 0.366 |
Total number of observations | 737467 | 6207 | 37433 |
Number of reflections | 72375 | 581 | 3919 |
<I/σ(I)> | 11.2 | 27.1 | 1.9 |
Completeness [%] | 99.4 | 98.7 | 91.8 |
Redundancy | 10.2 | 10.7 | 9.6 |
CC(1/2) | 0.997 | 0.997 | 0.659 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 4000, magnesium sulphate, glycerol, Tris(hydroxymethyl)methyl aminomethane |