1DS2

CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-03-12
Detector	MACSCIENCE
Spacegroup name	P 1 21 1
Unit cell lengths	45.413, 54.647, 45.525
Unit cell angles	90.00, 119.13, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.183
RMSD bond length	0.011
RMSD bond angle	0.985
Data reduction software	XPRESS
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.740
High resolution limit [Å]	1.700	1.710 *
Rmerge	0.120	0.288
Total number of observations	61078 *
Number of reflections	18894 *
<I/σ(I)>	7.86
Completeness [%]	87.8	47.1
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	298	used seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		50 (mM)	pH6.5-7..1
2	1	reservoir	PEG4000
3	1	drop	protein	10 (mg/ml)