7N0U

Complex of recombinant Bet v 1 with Fab fragment of REGN5713

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	140.766, 140.766, 94.294
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.080 - 3.000
R-factor	0.2422
Rwork	0.240
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4A8U and in-house Fab structure
RMSD bond length	0.003
RMSD bond angle	0.645
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.050
High resolution limit [Å]	2.990	3.000
Rmerge	0.112	1.070
Rmeas	0.118	1.130
Rpim	0.039	0.373
Number of reflections	22121	1100
<I/σ(I)>	17.7
Completeness [%]	100.0	100
Redundancy	9.3	9
CC(1/2)		0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	ammonium sulfate, sodium acetate, glycerol