2YIP

Crystal Structure of Parasite Sarcocystis muris Microneme Protein SML- 2 in complex with 1-Thio-beta-D-Galactose (SPACEGROUP P212121)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-05-19
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	53.310, 130.000, 158.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.890 - 2.140
R-factor	0.16086
Rwork	0.159
R-free	0.20242
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yil
RMSD bond length	0.024
RMSD bond angle	1.905
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.200
High resolution limit [Å]	2.140	2.140
Rmerge	0.030	0.100
Number of reflections	61346
<I/σ(I)>	38.6	14.1
Completeness [%]	99.5	95.8
Redundancy	5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	291	VAPOR DIFFUSION, HANGING DROP. PH 7.9, TEMPERATURE 291K. VAPOR DIFFUSION, HANGING DROP. PROTEIN SOLUTION: 50 MM TRIS-HCL, 150 MM NACL, PH 8.3, 12MG/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. PROTEIN:1-THIO-BETA-D-GALACTOSE MOLAR RATIO 1:100.