1H91

The crystal structure of lobster apocrustacyanin A1 using softer X-rays.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	41.650, 80.680, 110.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.400
R-factor	0.1766
R-free	0.22930
Structure solution method	SIRAS
RMSD bond length	0.011
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.420
High resolution limit [Å]	1.350	1.350
Rmerge	0.047 *	0.117
Total number of observations	330300 *
Number of reflections	73302
<I/σ(I)>	19.6	7.3
Completeness [%]	88.4	79.4 *
Redundancy	8.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	291	HANGING DROP, 18 DEGREES C, OVER RESERVOIR 0.1 M TRIS/HCL, PH 9.0, 5% MPD, 1MM EDTA, 1.9 M AMMONIUM SULPHATE. DROP MADE UP BY MIXING 1:1 PROTEIN SOLUTION (CONTAINING 20 MG/ML A1 SUBUNIT IN 0.1 M TRIS-HCL, PH 7.0, 1 MM EDTA) AND OF THE RESERVOIR SOLUTION.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	0.1 (M)
2	1	reservoir	MPD	5 (%)
3	1	reservoir	EDTA	1 (mM)
4	1	reservoir	ammonium sulfate	1.9 (M)
5	1	drop	protein	20 (mg/ml)
6	1	drop	Tris-HCl	0.1 (M)
7	1	drop	EDTA	1 (mM)