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