6U1T

Crystal structure of anti-Nipah virus (NiV) F 5B3 antibody Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-06-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	78.120, 95.010, 137.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.600 - 1.483
R-factor	0.139
Rwork	0.137
R-free	0.17330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nb8
RMSD bond length	0.007
RMSD bond angle	1.220
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.600	68.600	1.560
High resolution limit [Å]	1.480	4.690	1.483
Rmerge		0.040	0.904
Rmeas	0.088	0.044	1.052
Rpim	0.036	0.018	0.523
Number of reflections	84268	2868	11965
<I/σ(I)>	10.2	13.7	0.9
Completeness [%]	99.7	100	97.8
Redundancy	5.6	6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M Magnesium chloride, 0.1 M Tris HCl, pH 8.5 and 20% PEG 8000