7SPQ

Crystal structure of Burkholderia glumae toxoflavin biosynthesis protein ToxD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	I 2 3
Unit cell lengths	135.978, 135.978, 135.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.000 - 1.800
R-factor	0.1366
Rwork	0.135
R-free	0.16740
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Unpublished structure of the Se-Met substituted protein
RMSD bond length	0.006
RMSD bond angle	0.819
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	SHELXCD
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.075	48.075	1.900
High resolution limit [Å]	1.800	5.700	1.800
Rmerge		0.027	0.519
Rmeas	0.071	0.032	0.604
Rpim	0.026	0.012	0.240
Number of reflections	38281	1298	5302
<I/σ(I)>	20.9	21.7	1.5
Completeness [%]	99.1	99.7	94.1
Redundancy	7.1	7	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Emerald BioSystems Wizard 1, formulation 6 [20% (w/v) PEG-3000 and citrate pH 5.5]