5T50

LIGAND-FREE LECTIN FROM BAUHINIA FORFICATA

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	2015-09-05
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	45.991, 58.004, 190.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.430
R-factor	0.1186
Rwork	0.116
R-free	0.16050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hql
RMSD bond length	0.021
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	0.059	0.026	0.488
Number of reflections	90961
<I/σ(I)>	8.4
Completeness [%]	95.5	99.6	63.9
Redundancy	4.7	4.8	2.5
CC(1/2)		0.999	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PROTEIN CONCENTRATION 5-8 MG/ML IN 0.05 M HEPES BUFFER (pH 7.5) AND 0.15 M NACL, PRECIPITANT: 12% (W/W) PEG8000, 8% (W/V) ETHYLENE GLYCOL, 0.1 M HEPES (pH 7.5), DROPLETS RATIO: 1:1