4RPF

Crystal structure of homoserine kinase from Yersinia pestis Nepal516, NYSGRC target 032715

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	2014-09-05
Detector	ADSC QUANTUM 315r
Spacegroup name	C 1 2 1
Unit cell lengths	162.861, 93.659, 107.617
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	40.720 - 2.300
R-factor	0.24189
Rwork	0.240
R-free	0.29054
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	1.109
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.084
Number of reflections	70518
<I/σ(I)>	18.25	1.5
Completeness [%]	98.6	97.9
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	PROTEIN IN 10 MM BIS-TRIS, 500 MM SODIUM CHLORIDE, 10% GLYCEROL, 5 MM DTT, 10 MM D-GLUCOSE, RESERVOIR: 0.17 M AMMONIUM ACETATE, 0.085 M SODIUM CITRATE, PH 5.6, 25.5% W/V PEG4000, 15% W/V GLYCEROL, 0.5 M 2-Aminoethylphosphonate; CRYOPROTECTANT = RESERVOIR, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K