5T52

LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH GALNAC

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	45.890, 58.949, 187.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.666 - 1.700
R-factor	0.1536
Rwork	0.152
R-free	0.18610
RMSD bond length	0.023
RMSD bond angle	2.102
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	1.740
High resolution limit [Å]	1.710	4.640	1.710
Rmerge	0.105	0.081	0.356
Rmeas	0.119	0.091	0.431
Rpim	0.053	0.039	0.237
Total number of observations	232093
Number of reflections	55964
<I/σ(I)>	9.9
Completeness [%]	99.0	98.2	86.3
Redundancy	4.1	5	2.4
CC(1/2)		0.982	0.815

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