7R65

Crystal structure of a bacterial cyclic UMP synthase from Burkholderia cepacia LK29

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	83.145, 66.758, 92.350
Unit cell angles	90.00, 111.26, 90.00

Refinement procedure

Resolution	45.220 - 1.450
R-factor	0.1774
Rwork	0.177
R-free	0.19760
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.960	1.470
High resolution limit [Å]	1.450	1.450
Rpim	0.029	0.872
Number of reflections	167231	7966
<I/σ(I)>	16.8	1.6
Completeness [%]	99.7	96.8
Redundancy	48.9	40.6
CC(1/2)	0.999	0.181

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M ammonium acetate, 0.1 M HEPES-KOH pH 7.5, and 29% PEG-3350