7EKZ

Structural and functional insights into Hydra Actinoporin-Like Toxin 1 (HALT-1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-29
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	P 21 21 21
Unit cell lengths	47.100, 49.590, 77.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.550 - 1.430
R-factor	0.1658
Rwork	0.163
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gwy
RMSD bond length	0.021
RMSD bond angle	2.105
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.550	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.147	0.419
Rmeas	0.163	0.506
Rpim	0.068	0.276
Number of reflections	33402	1577
<I/σ(I)>	5.2	2
Completeness [%]	98.2	95.2
Redundancy	4.8	3
CC(1/2)	0.983	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.1 M sodium formate, 22% w/v polyethylene glycol 3550