7QPS
Structure of Mn-free SpoT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 90.887, 90.887, 262.359 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.880 - 2.790 |
R-factor | 0.2602 |
Rwork | 0.258 |
R-free | 0.29830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s2v |
RMSD bond length | 0.009 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (20-OCT-2021)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.880 | 2.900 |
High resolution limit [Å] | 2.790 | 2.790 |
Rmerge | 0.527 | 3.457 |
Rpim | 0.108 | 0.689 |
Number of reflections | 25337 | 1230 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 94.7 | |
Redundancy | 24.8 | |
CC(1/2) | 0.990 | 0.487 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.5 M Ammonium sulfate, 1.0 M Lithium sulfate, 0.1 M Sodium citrate, 30 % w/v PEG 1500 |