7S04

1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-15
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	66.572, 118.251, 53.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.920 - 2.520
R-factor	0.2311
Rwork	0.230
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zn6
RMSD bond length	0.008
RMSD bond angle	0.980
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.920	2.560
High resolution limit [Å]	2.520	2.520
Rmerge	0.249	0.360
Number of reflections	27390	14804
<I/σ(I)>	23.09
Completeness [%]	98.6	98
Redundancy	5.49	11.06

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289.15	100 mM sodium citrate:HCl, pH 5.60, 250 mM ammonium sulfate, 24% PEG4000