8A45

Structural analysis of 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa with 2-acetyl thiamine diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	117.120, 138.013, 231.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.590 - 2.000
R-factor	0.1845
Rwork	0.183
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ouv
RMSD bond length	0.002
RMSD bond angle	0.563
Data scaling software	Aimless
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.590	2.279
High resolution limit [Å]	2.000	2.200
Rmerge	0.031	0.142
Number of reflections	250709	18663
<I/σ(I)>	18.01
Completeness [%]	99.6
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291.15	100mM HEPES, 12% PEG-8000 and 200mM calcium acetate