7VU3

Chitoporin from Serratia marcescens in-complex with chitohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-15
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 41 21 2
Unit cell lengths	73.240, 73.240, 213.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.280 - 2.700
R-factor	0.212
Rwork	0.207
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vu2
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.150	71.150	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.172	0.073	0.965
Rmeas	0.189	0.086	1.057
Rpim	0.074	0.042	0.414
Total number of observations	100353	3037	13098
Number of reflections	15892	558	2000
<I/σ(I)>	8.7	12.8	3
Completeness [%]	94.9	99	92.5
Redundancy	6.3	5.4	6.5
CC(1/2)	0.966	0.893	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	19% (w/v) PEG 1500, 0.2 M Ammonium phosphate monobasic, 0.1 M HEPES pH 7.0