1AY0

IDENTIFICATION OF CATALYTICALLY IMPORTANT RESIDUES IN YEAST TRANSKETOLASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	76.100, 113.600, 162.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.500 - 2.600
R-factor	0.193
Rwork	0.193
R-free	0.26300
Structure solution method	DIFFERENCE FOURIER METHODS
Starting model (for MR)	1trk
RMSD bond length	0.008
RMSD bond angle	23.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.700
High resolution limit [Å]	2.400	2.600
Rmerge	0.097	0.215
Total number of observations	380321 *
Number of reflections	36959
Completeness [%]	82.7	65.1
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.6 *	4 *	Schneider, G., (1989) J. Biol. Chem., 264, 21619. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	PEG6000	7.5 (%)
3	1	drop	glycylglycine	25 (mM)
4	1	drop	thiamine-PP	2 (mM)
5	1	reservoir	glycylglycine	50 (mM)
6	1	reservoir	thiamine-PP	2 (mM)