8G9M

Acinetobacter_baumannii short-chain dehydrogenase

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)	0.935
Spacegroup name	P 64 2 2
Unit cell lengths	93.775, 93.775, 190.987
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.640 - 2.500
R-factor	0.25
Rwork	0.249
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nrp
RMSD bond length	0.002
RMSD bond angle	0.508
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.640	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	17882	1979
<I/σ(I)>	11.3	2
Completeness [%]	99.9
Redundancy	7.9
CC(1/2)	0.999	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2M Lithium sulfate monohydrate, 0.1 M TRIS hydrochloride pH 8.5, 30%(v/v) Polyethylene glycol 8,000.