4MQ0

Crystal structure of Parkia biglobosa seed lectin (PBL) in complex with methyl alpha D-mannopyranoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4590
Spacegroup name	C 2 2 21
Unit cell lengths	77.139, 86.659, 127.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 2.120
R-factor	0.25992
Rwork	0.258
R-free	0.29272
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.905
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.330
High resolution limit [Å]	2.120
Number of reflections	22080
Completeness [%]	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	310	NaCl 0.1 M, Bicine 0.1 M, PEG 550 25%, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K