2RAC

AMICYANIN REDUCED, PH 7.7, 1.3 ANGSTROMS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	273
Detector technology	AREA DETECTOR
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 1 21 1
Unit cell lengths	28.750, 56.200, 27.420
Unit cell angles	90.00, 96.12, 90.00

Refinement procedure

Resolution	6.000 - 1.300
R-factor	0.182
Rwork	0.182
R-free	0.21000
Structure solution method	OTHER
Starting model (for MR)	1aac
RMSD bond length	0.007
RMSD bond angle	27.500 *
Data reduction software	UCSD-system
Data scaling software	UCSD-system
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.040	1.450
High resolution limit [Å]	1.300	1.300
Rmerge	0.059	0.160
Number of reflections	19838
<I/σ(I)>	13	2
Completeness [%]	93.0	81
Redundancy	5.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.38 *		macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	phosphate	3 (M)
2	1	reservoir	sodium monobasic	90 (%)
3	1	reservoir	potassium dibasic	10 (%)