6JK3

Crystal structure of a mini fungal lectin, PhoSL in complex with core-fucosylated 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	2018-03-18
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 41 21 2
Unit cell lengths	61.295, 61.295, 67.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.430 - 1.120
R-factor	0.12211
Rwork	0.121
R-free	0.14506
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jk2
RMSD bond length	0.012
RMSD bond angle	1.620
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.062	0.649
Number of reflections	50196	4797
<I/σ(I)>	42.85	2.22
Completeness [%]	99.6	96.9
Redundancy	12.4	4.3
CC(1/2)	0.943	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	1.6 M Sodium citrate pH 6.5