6UT3
X-ray structure of Thermococcus gammatolerans McrB AAA+ domain hexamer in P21 symmetry
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 | 2018-06-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 102.474, 109.619, 120.782 |
Unit cell angles | 90.00, 108.33, 90.00 |
Refinement procedure
Resolution | 114.650 - 2.950 |
R-factor | 0.3458 |
Rwork | 0.345 |
R-free | 0.36290 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.302 |
Data reduction software | XDS (BUILT=20180307) |
Data scaling software | XDS (BUILT=20180307) |
Phasing software | CRANK2 |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 114.650 | 3.040 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.073 | 1.415 |
Rmeas | 0.079 | 1.674 |
Number of reflections | 57659 | 4037 |
<I/σ(I)> | 14.2 | 1 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 6.8 | 6.9 |
CC(1/2) | 0.999 | 0.556 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M sodium acetate, pH 6.5, 17.5 % MPD with a drop size of 2 micro-liters and reservoir volume of 650 micro-liters. |