6MQR

Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-a.01 in complex with FP (residue 512-519)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 2 3
Unit cell lengths	159.250, 159.250, 159.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.561 - 2.450
R-factor	0.1769
Rwork	0.175
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.372
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.154	0.083	0.872
Rmeas	0.165	0.089	0.922
Rpim	0.059	0.033	0.297
Total number of observations	210137
Number of reflections	24735	1303	1241
<I/σ(I)>	4.7
Completeness [%]	99.6	99.2	100
Redundancy	8.5	7.7	9.5
CC(1/2)		0.995	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.17 M NH4CH3CO2, 0.085 M acetate pH 4.6, 25.5% w/v PEG 4000, and 15% glycerol