1SDX

Crystal structure of the zinc saturated C-terminal half of bovine lactoferrin at 2.0 A resolution reveals two additional zinc binding sites

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	2004-01-31
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	63.210, 50.570, 66.170
Unit cell angles	90.00, 107.64, 90.00

Refinement procedure

Resolution	20.000 * - 2.000 *
R-factor	0.192
Rwork	0.192
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nkx
RMSD bond length	0.009
RMSD bond angle	23.900 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.000 *	2.060
Rmerge	0.079 *	0.315 *
Total number of observations	140559 *
Number of reflections	24896
<I/σ(I)>	14.7	2.2
Completeness [%]	91.0	75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5 *	298	0.1M MES, 25% polyethylene glycol monomethylether 550, 0.01M zinc sulphate heptahydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	reservoir	MES	0.1 (M)	pH6.5
3	1	reservoir	PEG550 MME	25 (%(v/v))
4	1	reservoir	zinc sulfate heptahydrate	0.01 (M)