5NB4

Atomic resolution structure of C-phycoerythrin from marine cyanobacterium Phormidium sp. A09DM at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97951
Spacegroup name	P 1
Unit cell lengths	109.046, 109.095, 117.371
Unit cell angles	78.78, 82.32, 60.26

Refinement procedure

Resolution	94.620 - 1.140
R-factor	0.149
Rwork	0.147
R-free	0.18400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5aqd
RMSD bond length	0.017
RMSD bond angle	2.682
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.620	1.160
High resolution limit [Å]	1.140	1.140
Rmerge	0.042	0.545
Rpim	0.042	0.545
Number of reflections	1575226	74960
<I/σ(I)>	10.7	1.6
Completeness [%]	93.8	90
Redundancy	2.6	2.7
CC(1/2)	0.998	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	Morpheus screen condition C8 with the NPS mix of additives