5YQW

Structure and function of a novel periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	95
Detector technology	PIXEL
Collection date	2017-05-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 31 2 1
Unit cell lengths	54.730, 54.730, 306.442
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.840 - 1.360
R-factor	0.19666
Rwork	0.195
R-free	0.22622
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zu0
RMSD bond length	0.030
RMSD bond angle	2.209
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	1.400
High resolution limit [Å]	1.360	1.360
Rmerge	0.132	1.659
Rmeas	0.139	1.807
Rpim	0.044	0.948
Number of reflections	115984	8241
<I/σ(I)>	7.6	1.2
Completeness [%]	99.8	97.7
Redundancy	9.5	6.8
CC(1/2)	0.995	0.067

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.09M Halogens (NaF, NaBr, NaI), 0.1M Buffer 2 (HEPES/MOPS) pH 7.5, 37.5% MPD_P1K_P3350 mix