6YYJ

Crystal structure of native Phycocyanin from T. elongatus in spacegroup P21212 at 2.1 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	118.363, 98.231, 104.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.840 - 2.160
R-factor	0.206
Rwork	0.204
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ypq
RMSD bond length	0.013
RMSD bond angle	1.541
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.840	2.210
High resolution limit [Å]	2.160	2.160
Rmerge	0.230	2.873
Rmeas	0.268	3.338
Rpim	0.098	1.217
Number of reflections	66066	6450
<I/σ(I)>	7	0.7
Completeness [%]	99.8	99
Redundancy	7.4
CC(1/2)	0.994	0.263

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1,2% Cholic Acid derivatives mix, 0.1M Buffer System1, 50% precipitant Mix1