6BVR

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 65 2 2
Unit cell lengths	58.914, 58.914, 232.062
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.591 - 1.900
R-factor	0.1972
Rwork	0.192
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.896
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.118	0.083	0.382
Rmeas	0.124	0.088	0.406
Rpim	0.038	0.028	0.135
Number of reflections	20024	1197	946
<I/σ(I)>	5
Completeness [%]	99.9	99.6	99.3
Redundancy	10.8	9.5	8.2
CC(1/2)		0.998	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	PEG 8000 14%, 0.1M Tris-HCl, 0.2 M MgCl2 , pH 8.5