1B7Z

STRUCTURE OF OXALATE SUBSTITUTED DIFERRIC MARE LACTOFERRIN FROM COLOSTRUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1997-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	84.524, 99.798, 103.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.000 - 2.700
Rwork	0.213
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DIFERRIC MARE LACTOFERRIN
RMSD bond length	0.013
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.120	0.270
Total number of observations	126098 *
Number of reflections	21691
<I/σ(I)>	16	2
Completeness [%]	90.0	81
Redundancy	3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8.5	297 *	30 MG/ML PROTEIN IN 0.025M TRIS-HCL DIALYZED AGAINST SAME BUFFER MADE AS 10% (V/V) ETHANOL AT PH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	20-30 (mg/ml)
2	1	1	Tris-HCl	0.025 (M)
3	1	2	Tris-HCl	0.025 (M)
4	1	2	ethanol	(%(v/v))