4OTB

4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL 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	1994-03
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	H 3
Unit cell lengths	87.400, 87.400, 254.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.224
Rwork	0.224
R-free	0.25800
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	0.008
RMSD bond angle	1.100
Data reduction software	SDMS
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	24488
<I/σ(I)>	19.5	5.6
Completeness [%]	98.0	83.5
Redundancy	6.8	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.0