4CHE

Crystal structure of the putative cap-binding domain of the PB2 subunit of Thogoto virus polymerase

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	2008-02-20
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	I 4
Unit cell lengths	109.620, 109.620, 39.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.620 - 1.800
R-factor	0.17268
Rwork	0.172
R-free	0.19215
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.204
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	autoSHARP
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.640
Number of reflections	21746
<I/σ(I)>	16.5	2.4
Completeness [%]	99.7	99.6
Redundancy	5.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	293	THE PROTEIN WAS CONCENTRATED TO 9 MG/ML IN A BUFFER CONTAINING 20 MM TRIS PH 7.0, 200 MM NACL AND 5 MM BETA-MERCAPTOETHANOL. THE BEST-DIFFRACTING CRYSTALS GREW WITHIN 2 DAYS AT 20 C IN A SOLUTION CONTAINING 100 MM BIS-TRIS PH 6.0, 100 MM MGCL2 AND 22 % PEG3350.