5D2H

4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and alpha-ketoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-11
Detector	MAR CCD 165 mm
Wavelength(s)	1.437
Spacegroup name	P 21 21 21
Unit cell lengths	43.741, 44.904, 125.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.272 - 1.936
R-factor	0.1667
Rwork	0.163
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eb4
RMSD bond length	0.007
RMSD bond angle	1.097
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.272	2.000
High resolution limit [Å]	1.936	1.936
Rmerge	0.104	0.514
Number of reflections	18138
<I/σ(I)>	9.868	1.388
Completeness [%]	94.8	70.7
Redundancy	3.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	lithium sulfate monohydrate