6SZH

Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GW197

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	120.300, 64.120, 71.600
Unit cell angles	90.00, 92.70, 90.00

Refinement procedure

Resolution	23.840 - 1.650
R-factor	0.185
Rwork	0.183
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x07
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.521	1.736
High resolution limit [Å]	1.647	1.647
Rmeas	0.033	0.582
Number of reflections	52406	2618
<I/σ(I)>	21.6	1.6
Completeness [%]	85.1	32.4
Redundancy	3.3	2.9
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	200mM Calcium Acetate, 20% PEG 3350 and 20% Glycerol (+ crystal seeds)