2YIO

Crystal Structure of Parasite Sarcocystis muris Microneme Protein SML- 2 in complex with 1-Thio-beta-D-Galactose (SPACEGROUP C2221)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU H2B
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-05-05
Detector	MARRESEARCH MAR30
Spacegroup name	C 2 2 21
Unit cell lengths	74.730, 81.990, 130.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.830 - 2.430
R-factor	0.17267
Rwork	0.170
R-free	0.21379
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yil
RMSD bond length	0.019
RMSD bond angle	1.791
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]	23.900	2.500
High resolution limit [Å]	2.430	2.430
Rmerge	0.040	0.150
Number of reflections	15317
<I/σ(I)>	29.1	8.44
Completeness [%]	99.1	92.6
Redundancy	5	3.9

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. 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. PROTEIN:1-THIO-BETA-D-GALACTOSE, MOLAR RATIO 1:100.