1I6B

STRUCTURE OF EQUINE APOLACTOFERRIN AT 3.2 A RESOLUTION USING CRYSTALS GROWN AT 303K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	2000-02-16
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	80.490, 103.480, 112.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.200
R-factor	0.222
Rwork	0.222
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MARE DIFFERIC LACTOFERRIN COORDINATES
RMSD bond length	0.014
RMSD bond angle	1.700
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	3.200	3.200
Rmerge	0.110 *	0.380 *
Total number of observations	67331 *
Number of reflections	15800 *
<I/σ(I)>	7	11
Completeness [%]	99.4 *	94.7 *
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	8	303	ethanol, pH 8.0, MICRODIALYSIS, temperature 303K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	70 (mg/ml)
2	1	1	Tris-HCl	0.025 (M)	pH8.0
3	1	2	ethanol	19 (%(v/v))