6IFC

Crystal structure of VapBC from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	293
Detector technology	CCD
Collection date	2016-12-01
Detector	Nonius Kappa CCD
Wavelength(s)	0.97960
Spacegroup name	P 1 21 1
Unit cell lengths	53.956, 114.942, 53.998
Unit cell angles	90.00, 114.12, 90.00

Refinement procedure

Resolution	57.470 - 1.990
R-factor	0.17832
Rwork	0.175
R-free	0.23833
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tnd
RMSD bond length	0.016
RMSD bond angle	1.590
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.470	2.030
High resolution limit [Å]	1.990	2.000
Rmerge	0.090
Rpim		0.140
Number of reflections	38222
<I/σ(I)>	25.61
Completeness [%]	93.8
Redundancy	4.5
CC(1/2)		0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M lithium sulfate, 0.1 M CAPS/ Sodium hydroxide pH 10.5, 2M Ammonium Sulfate