4UF3

Deerpox virus DPV022 in complex with Bim BH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370, 1.5498
Spacegroup name	P 41 21 2
Unit cell lengths	94.389, 94.389, 45.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.700
R-factor	0.2059
Rwork	0.205
R-free	0.22060
Structure solution method	SIRAS
Starting model (for MR)	NONE
RMSD bond length	0.003
RMSD bond angle	0.567
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX (D)
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.390	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.080	0.890
Number of reflections	6039
<I/σ(I)>	19.5	2.8
Completeness [%]	100.0	100
Redundancy	10	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		17% PEG 8000, 0.2M MES PH 5.5, 0.2M AMMONIUM SULPHATE