6LZQ

Chitin-specific solute binding protein from Vibrio harveyi in complex with chitotriose.

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	2019-12-08
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 1 21 1
Unit cell lengths	61.833, 56.838, 81.864
Unit cell angles	90.00, 99.40, 90.00

Refinement procedure

Resolution	36.531 - 1.800
R-factor	0.1662
Rwork	0.164
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yqw
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.128	1.114
Rmeas	0.155	1.362
Rpim	0.085	0.765
Number of reflections	48470	2253
<I/σ(I)>	8.79
Completeness [%]	92.2
Redundancy	3.2
CC(1/2)		0.262

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	1.63mM chitotriose, 0.06M Divalents (MgCl2, CaCl2), 0.1M Buffer System 1 (Imidazole, MES (acid)), pH 6.5, 30% v/v Precipitant Mix 2 (Ethylene glycol, PEG 8000)