1ID2

CRYSTAL STRUCTURE OF AMICYANIN FROM PARACOCCUS VERSUTUS (THIOBACILLUS VERSUTUS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1993-01-21
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	87.400, 87.400, 38.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.150
Rwork	0.174
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aan these coordinates were supplied by the authors of this entry prior to their release
RMSD bond length	0.011
RMSD bond angle	1.360
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	PROTEIN
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.300
High resolution limit [Å]	2.150	2.150
Rmerge	0.073	0.345
Total number of observations	84144 *
Number of reflections	16083 *
Completeness [%]	90.8	72.7
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	Reservoir: 2.05 M ammonium sulfate, 0.1 M Na, K phosphate; hanging drop: 5 microliter protein solution (6 mg/ ml) plus 4 microliter 10% (v/v) of MPD and 1.5 microliter 0.5% (v/v) beta-D-glucopyranoside, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)	5 micro litter
2	1	drop	reservoir solution		2.5 micro litter
3	1	drop	MPD	10 (%(v/v))	4 micro litter
4	1	drop	NHG	0.5 (%(v/v))	1.5 micro litter
5	1	reservoir	ammonium sulfate	2.05 (M)
6	1	reservoir	Na, K phosphate	0.1 (M)