2ZTX

Complex structure of CVB3 3C protease with EPDTC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-01
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	76.390, 64.660, 39.240
Unit cell angles	90.00, 115.61, 90.00

Refinement procedure

Resolution	24.980 - 1.720
R-factor	0.2
Rwork	0.197
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cqq
RMSD bond length	0.018
RMSD bond angle	2.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.720	1.720
Rmerge	0.059	0.387
Number of reflections	18549
<I/σ(I)>	21.4	3.1
Completeness [%]	99.6
Redundancy	4.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	286	24% PEG 4000, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 286K