7KYF

Botulism Neurooxin Light Chain A app form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-08-20
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	57.527, 196.401, 38.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.250 - 2.330
R-factor	0.1623
Rwork	0.160
R-free	0.17930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hev
RMSD bond length	0.022
RMSD bond angle	2.194
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.250
High resolution limit [Å]	2.000
Rmerge	0.092
Number of reflections	19587
<I/σ(I)>	12.5
Completeness [%]	93.2
Redundancy	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	50mM sodium cacodylate pH 7.0, 200mM ammonium sulfate, 30% PEG 8000