6XEX

Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A/V139Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-28
Detector	Bruker Platinum 135
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	108.800, 108.800, 83.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.025 - 1.800
Rwork	0.160
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ni5
RMSD bond length	0.010
RMSD bond angle	1.612
Data scaling software	PROTEUM PLUS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.025	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	46796	6911
<I/σ(I)>	21.68	1.91
Completeness [%]	100.0
Redundancy	16.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium malonate, pH 6-7, 6-15% w/v PEG3350