6YX8

The structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the C2221 crystal form.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	C 2 2 21
Unit cell lengths	104.676, 177.340, 122.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.144 - 1.831
Rwork	0.160
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yx7
RMSD bond length	0.010
RMSD bond angle	1.547
Data reduction software	XDS (Jan 26, 2018 (20180409))
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.144	1.941
High resolution limit [Å]	1.831	1.831
Rmerge	0.126	1.278
Rmeas	0.137	1.278
Rpim	0.053	0.524
Number of reflections	87249	4360
<I/σ(I)>	9.3	1.5
Completeness [%]	95.7	58.3
Redundancy	6.6
CC(1/2)	0.996	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Morpheus screen condition E12: 37.5% v/v Precipitant mix 4: 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350; 0.1M Buffer system 3: 1.0M Tris (base); bicine, pH 8.5 0.12M Additives: 0.3M ethylene glycols