2YFB

X-ray structure of McpS ligand binding domain in complex with succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-25
Detector	ADSC QUANTUM 210r
Spacegroup name	C 1 2 1
Unit cell lengths	226.067, 46.039, 50.823
Unit cell angles	90.00, 95.92, 90.00

Refinement procedure

Resolution	19.911 - 1.900
R-factor	0.2071
Rwork	0.204
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yfa
RMSD bond length	0.007
RMSD bond angle	0.942
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.140	0.410
Number of reflections	40558
<I/σ(I)>	6.97	2.8
Completeness [%]	97.3	99.5
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		20% PEG 4000, 0.25 M (NH4)2SO4 AND 100 MM SODIUM ACETATE, PH 4.8