7LSE

Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Far Eastern Subtype)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 2 21 21
Unit cell lengths	56.960, 69.720, 180.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.100 - 2.350
R-factor	0.1745
Rwork	0.173
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ogx 6j5f
RMSD bond length	0.008
RMSD bond angle	0.946
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.100	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.197	0.891
Rmeas	0.205	0.929
Rpim	0.058	0.261
Total number of observations	362021
Number of reflections	30383	2950
<I/σ(I)>	8.6
Completeness [%]	99.2	99.6
Redundancy	11.9	12.3
CC(1/2)	0.994	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	0.1M sodium citrate tribasic dihydrate pH 5.0, 10% PEG 6000