8OJW
Streptavidin WT artificial metalloenzyme for carboamination
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000305674358714 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 57.820, 57.820, 184.462 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.158 - 1.484 |
Rwork | 0.179 |
R-free | 0.20210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 2.004 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.158 | 46.120 | 1.510 |
High resolution limit [Å] | 1.480 | 8.130 | 1.480 |
Rmerge | 0.117 | 0.084 | 1.589 |
Rmeas | 0.123 | 0.088 | 1.716 |
Rpim | 0.038 | 0.026 | 0.637 |
Number of reflections | 26459 | 3429 | 16908 |
<I/σ(I)> | 14.2 | ||
Completeness [%] | 99.9 | ||
Redundancy | 19.3 | 16.1 | 13.5 |
CC(1/2) | 0.998 | 0.998 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 2.0 M ammonium sulfate 0.1 M sodium acetate -> soaking experiment by pH adjustment to pH 6.0 |