5O3N
Crystal structure of E. cloacae 3,4-dihydroxybenzoic acid decarboxylase (AroY) reconstituted with prFMN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 2 |
Unit cell lengths | 208.310, 208.310, 157.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.067 - 2.050 |
Rwork | 0.184 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.801 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2689: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.070 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.061 | |
Number of reflections | 81470 | 7073 |
<I/σ(I)> | 15.2 | 1.2 |
Completeness [%] | 99.4 | 99.9 |
Redundancy | 5.1 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | Morpheus (Molecular Dimensions) A11 0.06 M Divalents (MgCl2/CaCl2) 0.1 M Tris(base)/Bicine 30% Glycerol/PEG 4k |