8CQ4
Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Janthinobacterium sp. HH01
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 | 2019-12-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.584, 73.985, 131.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.600 - 1.650 |
Rwork | 0.192 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.658 |
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] | 65.600 | 1.830 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 35076 | 1754 |
<I/σ(I)> | 14.1 | 1.6 |
Completeness [%] | 93.0 | 54.6 |
Redundancy | 12.7 | 9.9 |
CC(1/2) | 0.998 | 0.542 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 10% w/v PEG 20 000 20% v/v PEG MME 550 0.03 M Sodium nitrate 0.03 M Disodium hydrogen phosphate 0.03 M Ammonium sulfate 0.1 M MES/imidazole pH 6.5 (Morpheus buffer 1) 3.5 mg/mL protein in 20 mM TRIS-HCl, pH 8 |