4I26

2.20 Angstroms X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	88.266, 141.894, 172.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.720 - 2.204
R-factor	0.1887
Rwork	0.186
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d4e
RMSD bond length	0.014
RMSD bond angle	1.369
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.080	0.039	0.535
Number of reflections	109724
<I/σ(I)>	10
Completeness [%]	99.8	98.8	99.4
Redundancy	14	13.5	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M Sodium formate, 12% w/v polyethylene glycol 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K