5T5L

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	2015-11-20
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	44.865, 88.502, 110.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.300 - 1.170
R-factor	0.108
Rwork	0.107
R-free	0.13010
RMSD bond length	0.019
RMSD bond angle	1.985
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.190
High resolution limit [Å]	1.170	3.180	1.170
Rmerge	0.078	0.063	0.446
Rmeas	0.085	0.069	0.507
Rpim	0.032	0.027	0.237
Total number of observations	1008306
Number of reflections	147131
<I/σ(I)>	11.7
Completeness [%]	98.5	93	77.1
Redundancy	6.9	6.3	4.2
CC(1/2)		0.993	0.810

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