2GEF

Crystal structure of a Novel viral protease with a serine/lysine catalytic dyad mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97804
Spacegroup name	I 2 3
Unit cell lengths	144.070, 144.070, 144.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.410 - 2.200
R-factor	0.259
Rwork	0.222
R-free	0.26740
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.600
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.900
High resolution limit [Å]	2.200	2.200
Rmerge	0.059
Number of reflections	25378
<I/σ(I)>	76.9
Completeness [%]	100.0	100
Redundancy	16.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris-HCl (pH 8.5), 25% (w/v) PEG2000MME, 60 mM Magnesium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K