4LON

Crystal structure of monomeric sulphate free form of ligand binding domain of CysB,an LTTR from Salmonella typhimurium LT2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-24
Detector	MARRESEARCH
Wavelength(s)	0.97755
Spacegroup name	C 2 2 21
Unit cell lengths	57.429, 69.361, 105.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.235 - 2.200
R-factor	0.2295
Rwork	0.228
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1al3
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.072
Number of reflections	70402
<I/σ(I)>	24.542
Completeness [%]	99.7
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	20%(w/v) PEG8000, 0.1M Sodium cacodylate pH 6.5, 0.2M magnesium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 291K