4QHF

Crystal structure of Methanocaldococcus jannaschii monomeric selecase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.8726
Spacegroup name	P 21 21 2
Unit cell lengths	51.260, 77.350, 31.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 2.100
R-factor	0.208
Rwork	0.208
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Dimeric selecase
RMSD bond length	0.010
RMSD bond angle	1.010
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]	42.700	42.700
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.070
Number of reflections	7658
<I/σ(I)>	17.7	17.7
Completeness [%]	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl, 0.2M sodium acetate, 30%(w/v) polyethylene glycol 4,000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K