4OTC

4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-04
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 3 2 1
Unit cell lengths	88.000, 88.000, 124.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.280
R-factor	0.234
Rwork	0.234
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1otf
RMSD bond length	0.011
RMSD bond angle	1.300
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.460
High resolution limit [Å]	2.280	2.280
Number of reflections	24989
<I/σ(I)>	12.1	4.4
Completeness [%]	96.0	79.7
Redundancy	13.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.0