4PG6

Crystal structure of S. aureus Homoserine Dehydrogenase at pH7.0

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	2012-07-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	72.640, 116.880, 118.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.700 - 2.200
R-factor	0.205
Rwork	0.203
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3do5
RMSD bond length	0.010
RMSD bond angle	1.338
Data reduction software	iMOSFLM (3.3.21)
Data scaling software	SCALA (2.5.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.620	34.729	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.036	0.442
Rpim		0.013	0.162
Total number of observations		13570	62873
Number of reflections	52050
<I/σ(I)>	17.3	36.5	4.8
Completeness [%]	100.0	99.2	100
Redundancy	8.3	7.6	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2M Magnesium acetate, 16% PEG3350, 0.1M HEPES, pH7.0, 5%Glycerol, 20% Iso-propanol