7EBM

W363A mutant of Chitin-specific solute binding protein from Vibrio harveyi in complex with chitobiose.

Replaces:  6LZS

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	2019-04-07
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97913
Spacegroup name	P 1 21 1
Unit cell lengths	58.574, 55.986, 80.319
Unit cell angles	90.00, 101.84, 90.00

Refinement procedure

Resolution	23.732 - 1.900
R-factor	0.1865
Rwork	0.183
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yqw
RMSD bond length	0.008
RMSD bond angle	1.073
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
Rmeas	0.199	2.030
Rpim	0.075	0.796
Number of reflections	40844	2018
<I/σ(I)>	401.1
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)		0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	1.63mM chitobiose, 0.06M 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)