4PG4

Crystal structure of S. aureus Homoserine Dehydrogenase at pH6.0

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	2012-07-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	72.460, 116.320, 118.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.500 - 2.200
R-factor	0.202
Rwork	0.200
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3do5
RMSD bond length	0.010
RMSD bond angle	1.371
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.350	39.450	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.029	0.435
Rpim		0.011	0.156
Total number of observations		13468	55716
Number of reflections	50394
<I/σ(I)>	16.8	34.5	4.8
Completeness [%]	98.0	97.7	94.1
Redundancy	8.2	7.7	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	0.2M Magnesium acetate, 22% PEG8000, 0.1M Bis-Tris, pH6.0, 5% Glycerol, 1mM Serine