4ALO

STRUCTURE AND PROPERTIES OF H1 CRUSTACYANIN FROM LOBSTER HOMARUS AMERICANUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-19
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 21
Unit cell lengths	40.368, 78.423, 105.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.990 - 2.370
R-factor	0.22466
Rwork	0.222
R-free	0.26601
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h91
RMSD bond length	0.007
RMSD bond angle	1.073
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.460
High resolution limit [Å]	2.380	2.380
Rmerge	0.080	0.340
Number of reflections	13959
<I/σ(I)>	14	2.5
Completeness [%]	98.9	99
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				CRYSTALLIZATION CONDITIONS: H1 PROTEIN SOLUTION AT 10.7 MG/ML IN TRIS-HCL 0.1M, PH 7.0, AND EDTA 1MM WAS USED IN CRYSTALLIZATION EXPERIMENTS. THE BEST CRYSTALS WERE GROWN BY MIXING EQUAL VOLUMES OF PROTEIN SOLUTION WITH EDTA 1MM, 2.4 M AMMONIUM SULPHATE, 5% V/V 2-METHYL-2,4-PENTANEDIOL (MPD) AND TRIS-HCL PH 8.0 BUFFER. CRYSTALS GREW IN A WEEK TO A SIZE OF 100 BY 30 BY 30 MICROMETERS.