4QHG

Crystal structure of Methanocaldococcus jannaschii dimeric selecase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	43.530, 43.530, 128.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.200 - 2.200
R-factor	0.219
Rwork	0.219
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jix
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	43.500
High resolution limit [Å]	2.200	2.200
Rmerge	0.061	0.061
Number of reflections	6813
<I/σ(I)>	23.4	23.4
Completeness [%]	99.5	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M sodium cacodylate, 30%(v/v) 2-methyl-2,4-pentanediol, 3%(w/v) polyethylene glycol 8,000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K