4PG8

Crystal structure of S. aureus Homoserine Dehydrogenase at pH8.5

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	2012-07-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	72.870, 117.510, 119.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.200 - 2.200
R-factor	0.203
Rwork	0.201
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.306
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]	119.530	39.170	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.017	0.486
Rmeas	0.082
Rpim	0.033	0.009	0.221
Total number of observations	294025	9231	42519
Number of reflections	52569
<I/σ(I)>	15.2	37	3.7
Completeness [%]	99.6	97	100
Redundancy	5.6	5.2	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M Magnesium acetate, 14% PEG8000, 0.2M Bicine, pH8.5, 5% Glycerol