3SJ8

Crystal structure of the 3C protease from coxsackievirus A16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-09-25
Detector	RIGAKU RAXIS VII
Spacegroup name	P 43
Unit cell lengths	40.586, 40.586, 99.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.300 - 2.199
R-factor	0.1937
Rwork	0.192
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zty
RMSD bond length	0.014
RMSD bond angle	1.358
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.199	2.200
Rmerge	0.073	0.510
Number of reflections	8199
<I/σ(I)>	21.067	2.357
Completeness [%]	99.7	99
Redundancy	4.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1 M Bis-Tris, pH 5.5, 0.1 M ammonium acetate, 17% w/v PEG10000, VAPOR DIFFUSION, HANGING DROP, temperature 291K