3GPQ

Crystal structure of macro domain of Chikungunya virus in complex with RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9330
Spacegroup name	P 31
Unit cell lengths	86.824, 86.824, 81.316
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.420 - 2.000
R-factor	0.218
Rwork	0.215
R-free	0.26000
Starting model (for MR)	3gpg
RMSD bond length	0.014
RMSD bond angle	1.398
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.421	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.052	0.525
Total number of observations		30275
Number of reflections	46206
<I/σ(I)>		0.9
Completeness [%]	99.6	100
Redundancy	4.6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	46% PEG 600, 100 mM hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 600
2	1	2	PEG 600
3	1	2	hepes