4LP2

Crystal structure of monomeric ligand binding domain of S. typhimurium CysB, a LysR transcriptional regulator at 2.2A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-07-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	57.808, 70.052, 105.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.427 - 2.300
R-factor	0.2315
Rwork	0.230
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1al3
RMSD bond length	0.004
RMSD bond angle	0.995
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.300
Rmerge	0.178
Number of reflections	30862
<I/σ(I)>	32.974
Completeness [%]	78.6
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M imidazole pH 6.5, 1.0M Sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 291K