1CT4

CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-10-16
Detector	MAC Science DIP-2000H
Spacegroup name	P 1 21 1
Unit cell lengths	45.568, 54.612, 45.573
Unit cell angles	90.00, 119.16, 90.00

Refinement procedure

Resolution	20.000 - 1.600
RMSD bond length	0.009
RMSD bond angle	0.906
Data reduction software	DIP (XPRESS)
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.076	0.235
Total number of observations	93994 *
Number of reflections	24537 *
<I/σ(I)>	12.8
Completeness [%]	94.8	75
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	298	PEG 4000 sodium potassium phosphate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	reservoir	PEG4000	4-10 (%)