2R72

Crystal structure of infectious bursal disease virus VP1 polymerase, incubated with Mg2+ ion.

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	2006-12-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 61 2 2
Unit cell lengths	122.838, 122.838, 354.255
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.150
R-factor	0.211
Rwork	0.209
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pus
RMSD bond length	0.006
RMSD bond angle	0.962
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.664	36.660	3.320
High resolution limit [Å]	3.150	9.960	3.150
Rmerge	0.121	0.055	0.356
Total number of observations		4106	16753
Number of reflections	27660
<I/σ(I)>	5.1	10.3	1.9
Completeness [%]	98.4	93.6	98.6
Redundancy	6.5	4.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	10% PEG 3350, 0.4M LiNO3, 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K