7BWW
Structure of the engineered metallo-Diels-Alderase DA7 W16S
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 | 2018-07-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.156, 79.823, 89.202 |
Unit cell angles | 90.00, 95.57, 90.00 |
Refinement procedure
Resolution | 39.911 - 1.500 |
R-factor | 0.1887 |
Rwork | 0.188 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ypi |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.390 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.049 | 0.321 |
Number of reflections | 61972 | 2930 |
<I/σ(I)> | 18.9 | 4.8 |
Completeness [%] | 98.7 | |
Redundancy | 6.8 | |
CC(1/2) | 0.998 | 0.916 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 180mM ammonium nitrate, 18% (w/v) polyethylene glycol 3350, 3% D-(+)-galactose |