3W95

Crystal structure of 2A proteinase (C110A) from enterovirus 71

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	92.524, 92.524, 36.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.259 - 1.850
R-factor	0.2189
Rwork	0.217
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hrv
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.260	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.070	0.279
Number of reflections	13786
<I/σ(I)>	17.6
Completeness [%]	99.0	90.2
Redundancy	9.77	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	295	0.2M Magnesium chloride, 0.1M Tris-Hcl, 1%(v/v) PEG4000, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K