4YJJ

Crystal structure of Phycocyanin from marine cyanobacterium Phormidium rubidum sp. A09DM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-24
Detector	AGILENT TITAN CCD
Wavelength(s)	1.54056
Spacegroup name	P 63
Unit cell lengths	102.354, 102.354, 109.021
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.000 - 2.700
R-factor	0.21
Rwork	0.207
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.083
Data reduction software	Aimless
Data scaling software	Aimless (0.2.8)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.340	19.340	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.132	0.045	0.421
Rpim	0.058	0.015	0.238
Total number of observations	109336	4226	9508
Number of reflections	17802
<I/σ(I)>	12	42.4	3.3
Completeness [%]	99.7	89.6	100
Redundancy	6.1	9.3	4
CC(1/2)	0.990	0.999	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	18.5% PEG 3350, 0.1 M sodium citrate buffer pH 6.0