6O9Q
Wild-type SaSQS1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 63.420, 85.840, 220.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.945 - 1.900 |
R-factor | 0.1937 |
Rwork | 0.192 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uv0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.857 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.950 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.075 | 1.460 |
Rpim | 0.023 | 0.457 |
Number of reflections | 47868 | 3065 |
<I/σ(I)> | 15.2 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.9 | 11 |
CC(1/2) | 0.999 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 294.15 | 6% (v/v) Tacsimate, 0.1 M MES monohydrate (pH = 6.0), 25% (w/v) polyethylene glycol 4000 |