6PTF

Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97934
Spacegroup name	P 41 21 2
Unit cell lengths	56.010, 56.010, 243.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.097 - 2.203
R-factor	0.2066
Rwork	0.205
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l0z
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	2.282
High resolution limit [Å]	2.203	2.203
Rmerge	0.055	0.692
Number of reflections	20650	1997
<I/σ(I)>	24.59	3.15
Completeness [%]	99.7	99.35
Redundancy	12.4	12.2
CC(1/2)	0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Crystals formed by mixing 13.3 mg/ml protein solution with well solution containing 8.4% PEG 8K, 100 mM MES/ acetate buffer pH 5.5, 1 mM 5-hydroxybenzimidazole. Crystals were cryoprotected by overnight soak in 20% ethylene glycol, 100 mM MES/acetate buffer pH 5.5, 16% Peg 4K and 5 mM 5,6-dimethylbenzimidazole prior to freezing