4PG7

Crystal structure of S. aureus Homoserine Dehydrogenase at pH7.5

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	2012-07-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	73.040, 117.660, 119.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.900 - 2.100
R-factor	0.1964
Rwork	0.195
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.269
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.480	34.925	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.021	0.438
Rmeas	0.062
Rpim	0.022	0.008	0.173
Total number of observations	434637	14805	56962
Number of reflections	59396
<I/σ(I)>	19	42.6	4.1
Completeness [%]	97.8	97.9	93.4
Redundancy	7.3	7.2	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M Magnesium acetate, 18% PEG8000, 0.1M Tris-HCl, pH7.5, 5% Glycerol