5D2F

4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - apo form

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	43.763, 44.939, 125.141
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.353 - 1.738
R-factor	0.1703
Rwork	0.168
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eb4
RMSD bond length	0.007
RMSD bond angle	1.174
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]	31.358	1.780
High resolution limit [Å]	1.738	1.738
Rmerge	0.080	0.516
Number of reflections	25510
<I/σ(I)>	20.237	2.82
Completeness [%]	97.2	94.5
Redundancy	7.1	6.3

Crystallization Conditions

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