6D60

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	P 65 2 2
Unit cell lengths	58.472, 58.472, 232.243
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.230 - 2.220
R-factor	0.2125
Rwork	0.208
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yfu
RMSD bond length	0.008
RMSD bond angle	1.174
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.260
High resolution limit [Å]	2.220	6.020	2.220
Rmerge	0.184	0.083	0.954
Rmeas	0.188	0.086	0.976
Rpim	0.039	0.020	0.204
Number of reflections	12593	758	620
<I/σ(I)>	4.2
Completeness [%]	99.8	97.4	100
Redundancy	22.5	18.3	22.6
CC(1/2)		0.998	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	PEG 8000 11 %, 100 mM Tris-HCl, 200 mM MgCl2, 1 mM DTT, pH 8.5