8CQ6
Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Duganella sacchari
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.984 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.108, 111.930, 221.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 99.900 - 2.440 |
Rwork | 0.225 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.908 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.900 | 2.660 |
High resolution limit [Å] | 2.440 | 2.440 |
Number of reflections | 51859 | 2594 |
<I/σ(I)> | 7.8 | 1.5 |
Completeness [%] | 94.0 | |
Redundancy | 13.2 | 12.9 |
CC(1/2) | 0.994 | 0.124 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277.15 | 3 M NaCl 0.1 M Bis-TRIS, pH 5.5 5.6 mg/mL protein in 20 mM TRIS-HCl |