22GI

3D1 Fab in complex with pepAVVNQN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2021-11-09
Detector	MAR CCD 300 mm
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	116.504, 58.620, 128.444
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	2.730 - 2.640
Rwork	0.212
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	xia2
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.980	2.730
High resolution limit [Å]	2.640	2.640
Number of reflections	50381	4613
<I/σ(I)>	11.3
Completeness [%]	97.7
Redundancy	3.4
CC(1/2)	1.000	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Ammonium sulfate, 25% w/v PEG 3350, 0.1 M BIS-TRIS pH 6.5