8EH2

Short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	67.431, 109.460, 136.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.400 - 2.400
R-factor	0.1919
Rwork	0.190
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d1y
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.400	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	20194	2085
<I/σ(I)>	6.9
Completeness [%]	99.9
Redundancy	4.7
CC(1/2)	0.986	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M lithium chloride, 0.1M Tris pH 8.0, 20% (v/v) polyethylene glycol 8,000