5N5E

Crystal structure of encapsulated ferritin domain from Pyrococcus furiosus PFC_05175

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.74
Spacegroup name	P 1 21 1
Unit cell lengths	99.853, 110.057, 136.271
Unit cell angles	90.00, 91.22, 90.00

Refinement procedure

Resolution	47.190 - 2.026
R-factor	0.1652
Rwork	0.174
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5da5
RMSD bond length	0.002
RMSD bond angle	0.435
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.190	2.099
High resolution limit [Å]	2.026	2.026
Rmerge	0.080	0.363
Number of reflections	374905	36076
<I/σ(I)>	10.48	4.02
Completeness [%]	99.7	99
Redundancy	3.3	3
CC(1/2)	0.995	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.2 M lithium chloride 20 % (w/v) PEG3350 Drops:100 nl protein, 100 nl reservoir solution. Reservoir: 70 ul.