3BN6

Crystal Structure of the C2 Domain of Bovine Lactadherin at 1.67 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-03-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	31.909, 56.033, 79.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.670
Rwork	0.190
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1czt
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.5)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.720
High resolution limit [Å]	1.670	3.930	1.670
Rmerge	0.051	0.034	0.334
Number of reflections	17121
<I/σ(I)>	19.9
Completeness [%]	98.9	96.4	98.9
Redundancy	4.5	4.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	18% (w/v) PEG4000, 0.1 M Hepes, pH 7.5, 0.2 M MgCl2, 10% isopropanol, micro-seeding, VAPOR DIFFUSION, HANGING DROP, temperature 290K