8A5K

Structural analysis of 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	116.819, 137.065, 231.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.920 - 2.300
R-factor	0.1855
Rwork	0.183
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ouv
RMSD bond length	0.008
RMSD bond angle	0.947
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.920	2.455
High resolution limit [Å]	2.300	2.370
Rmerge	0.169	1.477
Number of reflections	194080	14427
<I/σ(I)>	8.58
Completeness [%]	99.6
Redundancy	6.9

Crystallization Conditions

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