7CN3

2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 2
Unit cell lengths	126.673, 145.510, 118.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.590 - 2.200
R-factor	0.186
Rwork	0.183
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6KOH
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	113279	5529
<I/σ(I)>	24.4
Completeness [%]	99.8
Redundancy	12.8
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Succinic acid pH7.0 20% PEG3350