7BZV

Crystal structure of 2-aminomuconic 6-semialdehyde dehydrogenase from Pseudomonas species AP-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2019-09-23
Detector	OXFORD RUBY CCD
Wavelength(s)	0.9793
Spacegroup name	P 61 2 2
Unit cell lengths	181.526, 181.526, 181.157
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.536 - 1.988
R-factor	0.1737
Rwork	0.172
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4npi
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.988	5.400	1.990
Rmerge	0.085	0.039	0.839
Rmeas	0.088	0.040	0.863
Rpim	0.020	0.010	0.201
Number of reflections	120102	6482	5904
<I/σ(I)>	4.9
Completeness [%]	100.0	100	100
Redundancy	18.8	17.3	18.1
CC(1/2)		0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	ammonium sulfate, BIS-TRIS, Polyethylene glycol monomethyl ether 550