9HAV

F420-dependent glucose-6-phosphate dehydrogenase from Thermomicrobium roseus with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	87.767, 154.890, 173.459
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.330 - 2.220
Rwork	0.178
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.601
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XDS (Jan 31, 2020)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.220	2.220
Number of reflections	117277	18580
<I/σ(I)>	13.4	1
Completeness [%]	99.8	99.1
Redundancy	6.7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Crystallization: 16% PEG4000, 0.1 M Tris pH 8.5, 0.2 M NaOAc (Jena Bioscience screen 2, B2), Cryocondition: 15% PEG4000, 10% PEG400, 0.1 M Tris pH 8.5, 0.2 M NaOAc