4FAZ

Kinetic and structural characterization of the 4-oxalocrotonate tautomerase isozymes from Methylibium petroleiphilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	60.170, 76.169, 69.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 1.570
R-factor	0.23103
Rwork	0.229
R-free	0.27466
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bjp
RMSD bond length	0.021
RMSD bond angle	2.149
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.220	1.610
High resolution limit [Å]	1.570	1.570
Number of reflections	20889
Completeness [%]	98.5	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	200 mM tri-Ammonium Citrate, 10% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K