5USL

Structure of vaccinia virus D8 protein bound to human Fab vv304

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.15
Spacegroup name	P 4
Unit cell lengths	117.980, 117.980, 104.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.810 - 2.900
R-factor	0.2493
Rwork	0.247
R-free	0.29730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e9o 3lmj
RMSD bond length	0.004
RMSD bond angle	0.847
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	3.060
High resolution limit [Å]	2.900	2.900
Rpim	0.011	0.570
Number of reflections	30196	4480
<I/σ(I)>	6.5	1.5
Completeness [%]	94.8	97.1
Redundancy	3.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20% PEG 4000, 200 mM sodium citrate tribasic