5HM2

Crystal structure of the 3C protease from South African Territories type 2 foot-and-mouth disease virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 32
Unit cell lengths	53.980, 53.980, 318.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.748 - 3.200
R-factor	0.2247
Rwork	0.222
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j92
RMSD bond length	0.006
RMSD bond angle	1.079
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.100	3.370
High resolution limit [Å]	3.200	3.200
Rmerge	0.116	0.420
Number of reflections	17053
<I/σ(I)>	5.7	1.7
Completeness [%]	99.3	99.5
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	15% (w/v) PEG-8000, 0.09 M Na-cacodylate pH 7.0, 0.27 M Ca-acetate, 0.01 M Tris pH 8.5, 0.08 M Na-thiocyanate