1BLF

STRUCTURE OF DIFERRIC BOVINE LACTOFERRIN AT 2.8 ANGSTROMS RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1994-05
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	138.860, 87.010, 73.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.232
Rwork	0.217
R-free	0.28600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HUMAN LACTOFERRIN
RMSD bond length	0.011
RMSD bond angle	17.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.048	0.310
Total number of observations	81067 *
Number of reflections	22017
<I/σ(I)>	28	4
Completeness [%]	97.0	95.9
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.7	4 *	25 MM TRIS/HCL, PH 7.7 8% (V/V) MPD 6.5% (V/V) ETHANOL DIALYSED AGAINST A 200 MG/ML SOLUTION OF PROTEIN AT 277 K., dialaysis

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	bLf	200 (mg/ml)
2	1	2	Tris-HCl	25 (mM)
3	1	2	MPD	8 (%(v/v))
4	1	2	methanol	6.5 (%(v/v))