8VY8

Recombinant alpha bungarotoxin complexed with HAP peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-05-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541
Spacegroup name	P 1 21 1
Unit cell lengths	42.529, 73.110, 79.840
Unit cell angles	90.00, 103.68, 90.00

Refinement procedure

Resolution	53.200 - 2.400
R-factor	0.239
Rwork	0.237
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.166
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.200	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.148	0.416
Number of reflections	18053	1768
<I/σ(I)>	10.58
Completeness [%]	96.3
Redundancy	7.6
CC(1/2)	0.992	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M HEPES (pH 7.5), 35% PEG3350, 0.2 M MgCl2. 18 degree centigrade