3IAZ

Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of the C-lobe complex with aspirin

Replaces:  2G5JReplaces:  3HWY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2006-02-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	63.308, 50.469, 65.942
Unit cell angles	90.00, 107.70, 90.00

Refinement procedure

Resolution	63.250 - 2.000
R-factor	0.184
Rwork	0.182
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nkx
RMSD bond length	0.011
RMSD bond angle	1.739
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.250	2.060
High resolution limit [Å]	2.000	2.000
Number of reflections	24688
Completeness [%]	96.1	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	25% PEG MONOMETHYL ETHER-550, 0.1M ZNSO4, 0.1M MES, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K