7VU0

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]	100
Detector technology	PIXEL
Collection date	2016-10-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 1 21 1
Unit cell lengths	96.077, 58.864, 134.709
Unit cell angles	90.00, 110.83, 90.00

Refinement procedure

Resolution	63.250 - 1.850
R-factor	0.2172
Rwork	0.215
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vtz
RMSD bond length	0.013
RMSD bond angle	1.149
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.250	1.850
High resolution limit [Å]	1.850	1.850
Rmerge	0.091
Number of reflections	124529	6172
<I/σ(I)>	8.4
Completeness [%]	100.0
Redundancy	3.8
CC(1/2)	0.990	0.855

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