1QJM

Crystal Structure of a Complex of Lactoferrin with a Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1998-08-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	80.492, 103.191, 113.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.000 - 3.400
R-factor	0.219
Rwork	0.219
R-free	0.31600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BGR
RMSD bond length	0.018
RMSD bond angle	25.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	3.800
High resolution limit [Å]	3.400	3.400
Rmerge	0.126 *	0.263 *
Total number of observations	75612 *
Number of reflections	8782
<I/σ(I)>	11.1	3.1
Completeness [%]	85.0	55
Redundancy	3.2	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8	277	PROTEIN SOLUTION WITH A CONCENTRATION OF 40MG/ML IN 0.025M TRIS-HCL WAS EQUILIBRATED AGAINST THE SAME BUFFER CONTAINING 10% (V/V) ETHANOL AT PH 8.0 AT 4 DEGREE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	40 (mg/ml)
2	1	1	Tris-HCl	0.025 (M)
3	1	2	Tris-HCl	0.025 (M)
4	1	2	ethanol	10 (%(v/v))