6IVA

Crystal structure of the S. typhimurium oxaloacetate decarboxylase beta-gamma sub-complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	107.471, 198.083, 241.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.191 - 4.403
R-factor	0.3108
Rwork	0.310
R-free	0.33560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iww
RMSD bond length	0.003
RMSD bond angle	0.717
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.480
High resolution limit [Å]	4.400	4.400
Rmerge	0.160
Number of reflections	16715	834
<I/σ(I)>	14.99	1.52
Completeness [%]	99.8
Redundancy	6.9
CC(1/2)	1.000	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	0.1 M sodium chloride, 0.1 M lithium sulfate, 0.1 M sodium citrate pH 5.5, 25% PEG1000 and 0.125% PEG400