7AE5
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2018-06-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9159 |
Spacegroup name | P 1 |
Unit cell lengths | 98.230, 108.300, 111.420 |
Unit cell angles | 117.72, 101.32, 91.80 |
Refinement procedure
Resolution | 70.140 - 2.190 |
R-factor | 0.2253 |
Rwork | 0.223 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m1c |
RMSD bond length | 0.003 |
RMSD bond angle | 0.616 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.150 | 2.268 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.059 | 0.563 |
Rmeas | 0.084 | 0.796 |
Number of reflections | 197121 | 19440 |
<I/σ(I)> | 6.59 | 1.42 |
Completeness [%] | 97.0 | 95.74 |
Redundancy | 1.8 | 1.8 |
CC(1/2) | 0.984 | 0.445 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | Molecular Dimensions BCS H2: 0.1 M Hepes, pH 7.5, 30% v/v PEG Smear low |