5USH

Structure of vaccinia virus D8 protein bound to human Fab vv66

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	55.857, 61.515, 444.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.510 - 2.300
R-factor	0.22015
Rwork	0.218
R-free	0.25699
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e9o 4fqq
RMSD bond length	0.007
RMSD bond angle	1.233
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.760	2.350
High resolution limit [Å]	2.230	2.230
Rmerge	0.081	0.846
Rpim	0.035	0.405
Number of reflections	75859	10614
<I/σ(I)>	15.7	1.9
Completeness [%]	99.6	97.5
Redundancy	6.2	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	20% PEG 3350, 200 mM sodium malonate