6BDJ

Crystal structure of dioxygenase Tetur07g02040

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-12
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 2 1
Unit cell lengths	61.091, 45.415, 83.040
Unit cell angles	90.00, 94.29, 90.00

Refinement procedure

Resolution	40.000 - 2.150
R-factor	0.21592
Rwork	0.214
R-free	0.24827
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.588
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.056	0.252
Rmeas	0.064	0.300
Rpim	0.032	0.160
Number of reflections	24133	929
<I/σ(I)>	32	3.4
Completeness [%]	95.3	72.3
Redundancy	4	3.1
CC(1/2)		0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M LiSO4, 0.1 M HEPES pH 7.5, 10%w/v PEG3350, 10 mM catechol