9PN4

Crystal structure of a three finger toxin from snake venom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	93
Detector technology	CCD
Collection date	2022-05-31
Detector	RIGAKU SATURN 944
Wavelength(s)	1.0
Spacegroup name	I 41 2 2
Unit cell lengths	155.243, 155.243, 143.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.090 - 3.100
R-factor	0.2485
Rwork	0.247
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.090	3.270
High resolution limit [Å]	3.100	3.100
Number of reflections	16249	4912
<I/σ(I)>	11.6
Completeness [%]	99.0
Redundancy	15
CC(1/2)	0.990	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.1 M HEPES pH 7.5, 0.05 M NaCl, 1.6 M (NH4)2SO4