6X1O
WOR5 from Pyrococcus furiosus, as crystallized
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 123.092, 126.821, 141.289 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.189 - 2.094 |
R-factor | 0.1789 |
Rwork | 0.178 |
R-free | 0.20520 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.717 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | CNS |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.190 | 2.180 |
High resolution limit [Å] | 2.094 | 2.100 |
Rmeas | 0.140 | 0.738 |
Rpim | 0.055 | 0.213 |
Number of reflections | 498042 | 24417 |
<I/σ(I)> | 15.575 | 2.346 |
Completeness [%] | 99.1 | |
Redundancy | 12.1 | |
CC(1/2) | 0.994 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 7.5 | 298 | 0.1 M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate |