6LZV

F437A 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	59.522, 56.957, 85.152
Unit cell angles	90.00, 101.36, 90.00

Refinement procedure

Resolution	19.903 - 2.200
R-factor	0.1736
Rwork	0.171
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yqw
RMSD bond length	0.009
RMSD bond angle	1.162
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.066	0.066
Rmeas	0.077	0.077
Rpim	0.040	0.040
Number of reflections	28520	1352
<I/σ(I)>	18.45
Completeness [%]	99.6
Redundancy	3.7
CC(1/2)		0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	1.63mM chitobiose, 0.06 M Divalents (MgCl2, CaCl2), 0.1M Buffer System 2 (Sodium HEPES, MOPS (acid)), pH 7.5, 50% v/v Precipitant Mix 4 (MPD, PEG 1000, PEG 3350)