7AE7
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form, with truncated ShVdcD (V59X)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2018-05-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.553, 200.945, 201.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.420 - 2.660 |
R-factor | 0.1822 |
Rwork | 0.180 |
R-free | 0.22680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m1c |
RMSD bond length | 0.003 |
RMSD bond angle | 0.662 |
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] | 71.430 | 2.755 |
High resolution limit [Å] | 2.660 | 2.660 |
Number of reflections | 119314 | 11673 |
<I/σ(I)> | 8.25 | 2.79 |
Completeness [%] | 99.8 | |
Redundancy | 21.5 | |
CC(1/2) | 0.988 | 0.618 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | JCSG-Plus B8 (0.2 M Magnesium chloride hexahydrate, 0.1 M Tris, pH7, 10% PEG 8000 |