6I9G

Crystal structure of encapsulin from Mycolicibacterium hassiacum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	231.272, 242.149, 271.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 2.500
R-factor	0.17422
Rwork	0.172
R-free	0.21048
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dkt
RMSD bond length	0.009
RMSD bond angle	1.277
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.120	0.509
Rpim	0.084	0.365
Number of reflections	255440	12672
<I/σ(I)>	7.1	2.4
Completeness [%]	98.2	98.8
Redundancy	3.6	3.5
CC(1/2)	0.979	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	6.0 mg/ml encapsulin. 1.3 -1.6 M ammonium sulfate, 0.1 MES buffer pH 5.5