4PG5

Crystal structure of S. aureus Homoserine Dehydrogenase at pH6.5

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	2012-07-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	72.480, 115.430, 118.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.500 - 2.200
R-factor	0.203
Rwork	0.201
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3do5
RMSD bond length	0.010
RMSD bond angle	1.362
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.230	38.477	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.023	0.492
Rpim		0.009	0.177
Total number of observations		13906	62544
Number of reflections	51107
<I/σ(I)>	20.7	48	4.8
Completeness [%]	100.0	99.3	100
Redundancy	8.6	7.8	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M Magnesium acetate, 16% PEG3350, 0.1M Sodium Cacodylate, pH6.5, 5% Glycerol