1BXA

AMICYANIN REDUCED, PH 4.4, 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	28.960, 56.910, 27.610
Unit cell angles	90.00, 96.81, 90.00

Refinement procedure

Resolution	6.000 - 1.300
R-factor	0.169
Rwork	0.169
R-free	0.19500
Structure solution method	OTHER
Starting model (for MR)	1aac
RMSD bond length	0.008
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]	19.800	1.450
High resolution limit [Å]	1.300	1.300
Rmerge	0.041	0.098
Number of reflections	21062
<I/σ(I)>	18	4
Completeness [%]	95.0	71 *
Redundancy	4.9	2.1 *

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 (%)
4	1	drop	protein