8C5G

Structure of human Neuropilin-1 b1b2 domains in complex with Chlorotoxin (Leiurus quinquestriatus)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	46.880, 194.450, 74.050
Unit cell angles	90.00, 92.33, 90.00

Refinement procedure

Resolution	48.754 - 2.700
R-factor	0.2649
Rwork	0.263
R-free	0.31380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qqi 6atw
RMSD bond length	0.003
RMSD bond angle	0.707
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.345	0.480	1.169
Rmeas	0.372	0.515	1.266
Number of reflections	36045	419	2687
<I/σ(I)>	15.6
Completeness [%]	99.3
Redundancy	6.5
CC(1/2)	0.888	0.818	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.04M Potassium phosphate monobasic 16 % w/v PEG 8000 20 % v/v Glycerol (JCSG Plus: D12)