6LZT

N409A 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	2019-04-06
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 1 21 1
Unit cell lengths	59.466, 56.444, 80.881
Unit cell angles	90.00, 100.98, 90.00

Refinement procedure

Resolution	23.647 - 1.853
R-factor	0.2386
Rwork	0.235
R-free	0.29580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yqw
RMSD bond length	0.008
RMSD bond angle	1.115
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	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.112	0.687
Rmeas	0.131	0.809
Rpim	0.067	0.423
Number of reflections	44321	2194
<I/σ(I)>	27
Completeness [%]	99.8
Redundancy	3.7
CC(1/2)		0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	1.63mM chitobiose, 0.06 M Divalents (MgCl2, CaCl2), 0.1M Buffer System 1 (Imidazole, MES (acid)), pH 6.5, 50% v/v Precipitant Mix 4 (MPD, PEG 1000, PEG 3350)