7EQR

Crystal structure of Truncated (Delta 1-19) Chitoporin VhChiP from Vibrio harveyi 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]	110
Detector technology	CCD
Collection date	2020-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	58.000, 131.226, 136.586
Unit cell angles	65.80, 87.83, 86.90

Refinement procedure

Resolution	19.891 - 2.750
R-factor	0.182204428945
Rwork	0.180
R-free	0.22275
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mdo
RMSD bond length	0.009
RMSD bond angle	1.042
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.169
Rmeas	0.188
Rpim	0.081	0.030
Number of reflections	98809	98809
<I/σ(I)>	37.7
Completeness [%]	100.0
Redundancy	5.1
CC(1/2)	0.750	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.8	292	10 mM GlcNAc6 , 0.125 M Lithium nitrate, 0.1 M Glycine pH 9.8, 45 % v/v PEG 400