8JBQ

Pro-alpha-hemolysin of Vibrio campbellii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-24
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	208.825, 208.825, 52.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.1807
Rwork	0.180
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.474
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.109	0.790
Number of reflections	78663	7754
<I/σ(I)>	16.18	2.31
Completeness [%]	99.9	99.8
Redundancy	6.7	6.1
CC(1/2)	0.998	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM sodium cacodylate/HCl, 200 mM lithium sulfate, and 30% (v/v) PEG 400