6BVP

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A 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	2017-03-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 65 2 2
Unit cell lengths	58.405, 58.405, 230.507
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.248 - 1.903
R-factor	0.1963
Rwork	0.192
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yfu
RMSD bond length	0.007
RMSD bond angle	0.830
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.158	0.127	0.656
Rmeas	0.167	0.134	0.717
Rpim	0.051	0.041	0.276
Number of reflections	19292	2182	1816
<I/σ(I)>	5.8
Completeness [%]	99.4	98.9	97.3
Redundancy	10.3	10.7	5.7
CC(1/2)		0.982	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	PEG 8000 15%, 0.1M Tris-HCl, 0.2 M MgCl2, pH 8.5