7EBI

Chitin-specific solute binding protein from Vibrio harveyi co-crystalized with chitotetraose.

Replaces:  6LZR

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	61.877, 57.107, 82.134
Unit cell angles	90.00, 99.54, 90.00

Refinement procedure

Resolution	24.490 - 1.500
R-factor	0.1745
Rwork	0.174
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yqw
RMSD bond length	0.006
RMSD bond angle	1.067
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	1.530
High resolution limit [Å]	1.500	1.500
Rmeas	0.076	0.506
Rpim	0.040	0.312
Number of reflections	89117	4293
<I/σ(I)>	19.99
Completeness [%]	97.8	95.7
Redundancy	3.4	2.3
CC(1/2)		0.762

Crystallization Conditions

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