4OTA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-05
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	97.300, 98.200, 118.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.750
R-factor	0.228
Rwork	0.228
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2.3 ANGSTROMS RESOLUTION STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE FROM PSEUDOMONAS PUTIDA MT-2
RMSD bond length	0.011
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.800
High resolution limit [Å]	2.750	2.750
Number of reflections	29560
<I/σ(I)>	9.9	4.2
Completeness [%]	98.2	97.1
Redundancy	4.9	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.0