2YIL

Crystal Structure of Parasite Sarcocystis muris Lectin SML-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-11
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	53.170, 129.040, 158.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.440 - 1.950
R-factor	0.16981
Rwork	0.168
R-free	0.19716
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.016
RMSD bond angle	1.491
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.060	0.420
Number of reflections	79584
<I/σ(I)>	23.8	4.2
Completeness [%]	99.5	96.5
Redundancy	7.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	291	VAPOR DIFFUSION, HANGING DROP. TEMPERATURE 291K. PROTEIN SOLUTION:50 MM TRIS-HCL, 150 MM NACL, PH 8.3, 12 MG/ML SML-2. RESERVOIR: 0.1 M HEPES, PH 7.5, 0.1 M NACL, 1.7 M AMMONIUM SULFATE, 15% GLYCEROL. DROPLET: 1 MICROLITER PROTEIN SOLUTION: 1 MICROLITER RESERVOIR SOLUTION.