8SFA
Crystal structure of the engineered SsoPox variant IIIC1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033202 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.230, 104.290, 153.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.236 - 2.320 |
R-factor | 0.1927 |
Rwork | 0.190 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.894 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.236 | 2.420 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmeas | 0.068 | 0.544 |
Number of reflections | 62986 | 7364 |
<I/σ(I)> | 19.78 | |
Completeness [%] | 99.2 | |
Redundancy | 8.05 | |
CC(1/2) | 0.999 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% (w/v) PEG 8000 and Tris-HCl buffer (pH 8.5) |