7N0V

Complex of recombinant Bet v 1 with Fab fragment of REGN5715

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	2018-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 61 2 2
Unit cell lengths	133.105, 133.105, 145.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.090 - 3.710
R-factor	0.3294
Rwork	0.327
R-free	0.37770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BV1 plus in-house Fab models
RMSD bond length	0.002
RMSD bond angle	0.615
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	3.760
High resolution limit [Å]	3.700	3.700
Rmerge	0.302	2.680
Rmeas	0.305	2.706
Rpim	0.037	0.384
Number of reflections	8574	404
<I/σ(I)>	23	2
Completeness [%]	99.9	100
Redundancy	68.1
CC(1/2)		0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG3350, PEG 400, Mg acetate