6X6U
WOR5 from Pyrococcus furiosus, taurine-bound
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 | 125.148, 127.501, 140.712 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.162 - 1.944 |
R-factor | 0.1707 |
Rwork | 0.170 |
R-free | 0.19630 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.877 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 1.944 | 2.020 |
Rmeas | 0.293 | 0.875 |
Rpim | 0.069 | 0.318 |
Number of reflections | 300670 | 27757 |
<I/σ(I)> | 16.42 | 1.97 |
Completeness [%] | 94.7 | 87.3 |
Redundancy | 15 | 11.4 |
CC(1/2) | 0.986 | 0.307 |
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 |