4IZX

Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-10
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	33.800, 57.158, 61.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.220 - 1.100
R-factor	0.1086
Rwork	0.107
R-free	0.13210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ion
RMSD bond length	0.013
RMSD bond angle	1.558
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.120
High resolution limit [Å]	1.100	2.980	1.100
Rmerge	0.050	0.024	0.387
Number of reflections	43310
<I/σ(I)>	9
Completeness [%]	88.2	95.5	42.9
Redundancy	7	6.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Imidazole, 0.5 M Sodium citrate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K