1LNL

Structure of deoxygenated hemocyanin from Rapana thomasiana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	243
Detector technology	CCD
Collection date	2000-03-20
Detector	MARRESEARCH
Wavelength(s)	0.921
Spacegroup name	P 43 21 2
Unit cell lengths	105.486, 105.486, 374.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 3.380 *
R-factor	0.24974
Rwork	0.248
R-free	0.28700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.040 *
RMSD bond angle	3.100
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]	20.000	3.383
High resolution limit [Å]	3.380 *	3.380 *
Rmerge	0.108 *	0.373 *
Total number of observations	792618 *
Number of reflections	33066
Completeness [%]	99.8 *	99.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8 *	293	Perbandt, M., (2001) Acta Crystallogr., D57, 1663. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	magnesium formate	0.2 (M)
3	1	reservoir	Tris-HCl	20 (mM)	pH7.8