7VF3

Plexin B1 extracellular fragment in complex with lasso-grafted PB1m7 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	I 41 2 2
Unit cell lengths	263.591, 263.591, 108.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.410 - 2.290
R-factor	0.1975
Rwork	0.196
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b4w 1utg
RMSD bond length	0.007
RMSD bond angle	0.932
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (v2.8.1)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.410	2.430
High resolution limit [Å]	2.290	2.290
Number of reflections	84660	13445
<I/σ(I)>	11.45	1.24
Completeness [%]	99.9	99.4
Redundancy	13.9	13.7
CC(1/2)	0.998	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.1M sodium acetate buffer, 20% PEG 400, 0.2M Calcium acetate