3TRK

Structure of the Chikungunya virus nsP2 protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	87.509, 87.509, 85.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.135 - 2.397
R-factor	0.2109
Rwork	0.208
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hwk
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.397	6.510	2.400
Rmerge	0.132	0.062	0.486
Number of reflections	13501
<I/σ(I)>	5.8
Completeness [%]	99.7	99.7	99
Redundancy	7.4	6.7	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.09M HEPES pH 7.5, 17% PEG 4000, 8.5% 2-propanol, 15% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K