7DC0

Crystal structure of glycan-free Pseudomonas taiwanensis lectin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	44.129, 44.151, 134.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 1.880
R-factor	0.1806
Rwork	0.179
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s5v
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.880	5.950	1.880
Rmerge	0.161	0.051	0.555
Rmeas	0.186	0.063	0.058
Rpim	0.076	0.027	0.025
Total number of observations	127644	4358	19308
Number of reflections	22280	818	3203
<I/σ(I)>	8.9	14.3	4.3
Completeness [%]	100.0	99.9	100
Redundancy	5.7	5.3	6
CC(1/2)	0.989	0.997	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Ammonium sulfate, Mes