6VGS
Alpha-ketoisovalerate decarboxylase (KivD) from Lactococcus lactis, thermostable mutant
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97930 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 128.195, 128.268, 147.737 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 96.856 - 1.800 |
Rwork | 0.183 |
R-free | 0.21040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vbf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.423 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.151 | 0.122 | 1.055 |
Rmeas | 0.160 | 0.130 | 1.124 |
Rpim | 0.051 | 0.042 | 0.379 |
Total number of observations | 1972306 | ||
Number of reflections | 223094 | 23032 | 21668 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 99.4 | 99.3 | 97.2 |
Redundancy | 8.8 | 9 | 7.9 |
CC(1/2) | 0.989 | 0.698 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20mM MES pH6.8, 2.5mM MgSO4, 0.1mM TPP(ThDP), 1mM DTT, 20% PEG3000, 0.2M NaCl, 0.1M HEPES/NaOH pH7.5 |