1DS3

CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-04-18
Detector	MACSCIENCE
Spacegroup name	P 1 21 1
Unit cell lengths	23.152, 36.092, 26.135
Unit cell angles	90.00, 97.51, 90.00

Refinement procedure

Resolution	20.000 - 1.650
Rwork	0.196
R-free	0.23000
RMSD bond length	0.012
RMSD bond angle	1.115
Data reduction software	XPRESS
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.083	0.245
Total number of observations	16933 *
Number of reflections	4800 *
<I/σ(I)>	10.64
Completeness [%]	92.9	47.6
Redundancy	3.5

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	2.0 (M)