6LZW

W513A mutant of chitin-specific solute binding protein from Vibrio harveyi co-crystalized with chitobiose.

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	61.681, 57.113, 81.515
Unit cell angles	90.00, 101.70, 90.00

Refinement procedure

Resolution	26.888 - 1.900
R-factor	0.2301
Rwork	0.227
R-free	0.28990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yqw
RMSD bond length	0.008
RMSD bond angle	1.139
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	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.105	0.757
Rmeas	0.130	0.991
Rpim	0.075	0.630
Number of reflections	42466	2023
<I/σ(I)>	9.81
Completeness [%]	95.0
Redundancy	2.9
CC(1/2)		0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	1.63mM chitobiose, 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)