2JDZ

Crystal structure of recombinant Dioclea guianensis lectin complexed with 5-bromo-4-chloro-3-indolyl-a-D-mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-04
Detector	MARRESEARCH
Spacegroup name	I 41 2 2
Unit cell lengths	89.222, 89.222, 106.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.140 - 2.100
R-factor	0.2
Rwork	0.196
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h9p
RMSD bond length	0.014
RMSD bond angle	1.658
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.100	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.300
Number of reflections	12834
<I/σ(I)>	5.6	2.1
Completeness [%]	99.9	100
Redundancy	10.4	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		CRYSTALS WERE GROWN BY THE HANGING DROP VAPOUR DIFFUSION METHOD USING 30% PEG 400, 0.1M MES, PH 6.5 AND 0.1M CDCL2.