2ZTZ

crystal structure of 3C protease from CVB3 in space group P21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	38.880, 64.520, 68.280
Unit cell angles	90.00, 90.58, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.169
Rwork	0.166
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ztx
RMSD bond length	0.017
RMSD bond angle	1.890
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]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.087	0.311
Number of reflections	22339
<I/σ(I)>	10.3
Completeness [%]	97.3
Redundancy	3.1	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	286	25% PEG 4000, 0.2M magnesium chloride, 0.1M Tris-HCl , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 286K