7W5N

The crystal structure of the reduced form of Gluconobacter oxydans WSH-004 SNDH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-29
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	P 1 21 1
Unit cell lengths	80.242, 118.817, 109.020
Unit cell angles	90.00, 93.32, 90.00

Refinement procedure

Resolution	23.516 - 2.988
R-factor	0.17546
Rwork	0.171
R-free	0.21932
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u4j
RMSD bond length	0.008
RMSD bond angle	1.496
Data reduction software	SAINT
Data scaling software	SAINT (V8.38A)
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.516	23.500	3.096
High resolution limit [Å]	2.988	6.401	2.989
Number of reflections	41320	4247	41320
<I/σ(I)>	9.88
Completeness [%]	99.2
Redundancy	8.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290.15	succinic acid, hepes, pegme 2000