3DKT

Crystal structure of Thermotoga maritima encapsulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-05
Detector	MARRESEARCH
Wavelength(s)	1.0008
Spacegroup name	F 41 3 2
Unit cell lengths	669.040, 669.040, 669.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.867 - 3.104
R-factor	0.22
Rwork	0.219
R-free	0.23900
RMSD bond length	0.009
RMSD bond angle	1.330
Data scaling software	XSCALE
Phasing software	AVE/DM
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.867	3.300
High resolution limit [Å]	3.100	3.100
Rmerge	0.265	0.627
Number of reflections	220152	37311
<I/σ(I)>	7.43	2.1
Completeness [%]	96.5	96.9
Redundancy	8.63	8.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	292	0.1M citrate, 21.5% MPD (v/v), 0.25M ammonium acetate, pH5.1, VAPOR DIFFUSION, SITTING DROP, temperature 292K