3HUL

Structure of putative homoserine kinase thrB from Listeria monocytogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	100.488, 61.912, 96.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.440 - 2.190
R-factor	0.228
Rwork	0.226
R-free	0.27000
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.448
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.113	0.064	0.657
Number of reflections	31567
<I/σ(I)>	21.931
Completeness [%]	100.0	99.9	100
Redundancy	10.3	10	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1M Bis-Tris pH 5.5, 25% PEG 3350, 0.2M Lithium Sulfate, temperature 298K, VAPOR DIFFUSION, SITTING DROP