6RUN
Co-substituted alpha-Keggin bound to Proteinase K solved by EP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.860, 67.860, 102.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.996 - 1.100 |
R-factor | 0.128 |
Rwork | 0.127 |
R-free | 0.14030 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 2.079 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.139 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.212 | |
Rpim | 0.078 | |
Number of reflections | 96998 | 9398 |
<I/σ(I)> | 6.83 | |
Completeness [%] | 99.8 | |
Redundancy | 7.6 | |
CC(1/2) | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100 mM sodium acetate (pH 5.5), 0.7-1.2 M ammonium sulphate, 2.5 mM Co-subsituted alpha-Keggin |