5T5P

LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE

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	2016-03-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	44.686, 88.459, 110.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.535 - 1.660
R-factor	0.1309
Rwork	0.129
R-free	0.16300
RMSD bond length	0.022
RMSD bond angle	2.054
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	1.690
High resolution limit [Å]	1.660	4.500	1.660
Rmerge	0.064	0.038	0.558
Rmeas	0.069	0.042	0.634
Rpim	0.026	0.016	0.292
Total number of observations	366225
Number of reflections	52813
<I/σ(I)>	8.9
Completeness [%]	99.7	99.8	94.2
Redundancy	6.9	6.8	4
CC(1/2)		0.996	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	PROTEIN CONCENTRATION 5-8 MG/ML IN 0.05 M HEPES BUFFER (pH 7.5) AND 0.15 M NACL. PRECIPITANT: 25% (W/W) PEG1500, 0.1 M NACL, 0.1 M BIS-TRIS PROPANE (pH 9.0). DROPLETS RATIO: 1:1