6T1E
Streptavidin variants harbouring an artificial organocatalyst based cofactor
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 | 2017-09-28 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.918400 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 57.511, 57.511, 174.663 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.760 - 1.300 |
R-factor | 0.1303 |
Rwork | 0.129 |
R-free | 0.15790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.407 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.760 | 1.346 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.088 | |
Rmeas | 0.091 | |
Rpim | 0.024 | |
Number of reflections | 36595 | 3573 |
<I/σ(I)> | 18.71 | |
Completeness [%] | 99.9 | |
Redundancy | 14.4 | |
CC(1/2) | 1.000 | 0.398 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | (NH4)2SO4 1.8 M, NaCH3COO 0.1 M, pH 4.6 |