8CPN
Crystal structure of the PolB16_OarG intein variant S1A, N183A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.549800 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 69.425, 69.425, 79.162 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.060 - 1.850 |
R-factor | 0.2128 |
Rwork | 0.211 |
R-free | 0.24740 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.344 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmeas | 0.054 | |
Number of reflections | 36175 | 5587 |
<I/σ(I)> | 19.31 | |
Completeness [%] | 98.9 | |
Redundancy | 9.3 | |
CC(1/2) | 0.999 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Phosphate/citrate pH 4.2 38% EtOH 5% PEG 1000 |