7VTZ

Chitoporin from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2016-09-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.94842
Spacegroup name	P 1 21 1
Unit cell lengths	66.913, 58.673, 95.028
Unit cell angles	90.00, 110.38, 90.00

Refinement procedure

Resolution	49.000 - 2.100
R-factor	0.2389
Rwork	0.236
R-free	0.28630
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	1.051
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.720	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.141
Number of reflections	40616	3324
<I/σ(I)>	13.6
Completeness [%]	100.0
Redundancy	19.6
CC(1/2)	0.999	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30-35% PEG 400, 0.1 M Hepes pH 7.5