6NRP

Putative 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]	100
Detector technology	PIXEL
Collection date	2018-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 31 2 1
Unit cell lengths	89.479, 89.479, 239.469
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.987 - 1.900
R-factor	0.1713
Rwork	0.170
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iiu
RMSD bond length	0.007
RMSD bond angle	0.843
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.990	1.900
High resolution limit [Å]	1.900	1.900
Rmerge	0.139	0.606
Rmeas	0.148	0.652
Rpim	0.050	0.236
Number of reflections	88460	4426
<I/σ(I)>	9.1	2.9
Completeness [%]	99.9	99.5
Redundancy	8.7	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	296.15	0.1M magnesium acetate, 0.1M sodium acetate pH 4.5, 8% PEG8000