8GBB

Short-chain dehydrogenase/reductase (SDR) from multi-drug resistant 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]	100
Detector technology	PIXEL
Collection date	2018-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
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	0.1944
Rwork	0.192
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d1y
RMSD bond length	0.004
RMSD bond angle	0.580
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.400	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.860	2.106
Number of reflections	20190	1976
<I/σ(I)>	31.5	4.67
Completeness [%]	99.7
Redundancy	28.6
CC(1/2)	0.890	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M lithium chloride 0.1 M Tris pH 8.0, 20% (v/v) polyethylene glycol 8,000