8U5L

MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK virus VP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-11-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 42 21 2
Unit cell lengths	224.224, 224.224, 143.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.280 - 2.700
R-factor	0.1846
Rwork	0.183
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.568
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.280	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.275	1.382
Rmeas	0.280	1.410
Rpim	0.054	0.275
Total number of observations	2655968	369148
Number of reflections	100483	14325
<I/σ(I)>	14.8	3.1
Completeness [%]	99.8
Redundancy	26.4	25.8
CC(1/2)	0.998	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.1	0.2M MgCl 2 25% w/v Peg 3350 0.1M Bis-Tris pH 7.0