7VU2

Chitoporin from Serratia marcescens

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	2016-10-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97886
Spacegroup name	P 42 21 2
Unit cell lengths	82.967, 82.967, 189.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.423 - 1.850
R-factor	0.1742
Rwork	0.173
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vu0
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.760	1.890
High resolution limit [Å]	1.850	1.850
Rmerge		0.101
Number of reflections	57273	57273
<I/σ(I)>	24.8
Completeness [%]	100.0
Redundancy	11.7
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 8000, calcium acetate, MES pH 6.0