5T55

LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH GLOBOTETRAOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	44.681, 88.233, 110.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.861 - 1.430
R-factor	0.1067
Rwork	0.105
R-free	0.14660
RMSD bond length	0.020
RMSD bond angle	1.986
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.450
High resolution limit [Å]	1.430	3.880	1.430
Rmerge	0.068	0.031	0.471
Rmeas	0.070	0.032	0.520
Rpim	0.019	0.009	0.213
Total number of observations	1022165
Number of reflections	79081
<I/σ(I)>	8.2
Completeness [%]	96.5	99.8	56.3
Redundancy	12.9	14	4.7
CC(1/2)		0.999	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PROTEIN CONCENTRATION 5-8 MG/ML IN 0.05 M HEPES BUFFER (pH 7.5) AND 0.15 M NACL, PRECIPITANT: 28% (W/W) PEG6000, 0.5 M LITHIUM CHLORIDE, , 0.1 M TRIS (pH 8.5), DROPLETS RATIO: 1:1