3SJK

Crystal structure of the C147A mutant 3C from enterovirus 71

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-10-26
Detector	RIGAKU RAXIS VII
Spacegroup name	H 3
Unit cell lengths	74.261, 74.261, 102.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.573 - 2.096
R-factor	0.2087
Rwork	0.207
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sj8
RMSD bond length	0.006
RMSD bond angle	0.903
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	2.180
High resolution limit [Å]	2.096	2.100
Rmerge	0.087	0.477
Number of reflections	12238
<I/σ(I)>	17.871	2.184
Completeness [%]	98.6	92.7
Redundancy	4.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1 M Tris-HCl, pH 8.5, 20 mM lithium sulfate, 25% w/v PEG5000 MME, 8 mM 16-mer peptide, VAPOR DIFFUSION, HANGING DROP, temperature 291K