5D2G

4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium

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	42.766, 45.035, 124.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.452 - 1.897
R-factor	0.1561
Rwork	0.153
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eb4
RMSD bond length	0.008
RMSD bond angle	1.211
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]	40.452	1.960
High resolution limit [Å]	1.897	1.897
Rmerge	0.108	0.435
Number of reflections	18966
<I/σ(I)>	10.2	1.828
Completeness [%]	95.7	72.6
Redundancy	3.5	2.7

Crystallization Conditions

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