8BZX

1-deoxy-D-xylulose 5-phosphate synthase from Klebsiella pneumoniae (kpDXPS),co-crystal with thiamine monophosphate analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	273.15
Detector technology	PIXEL
Collection date	2022-11-03
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8856
Spacegroup name	C 2 2 21
Unit cell lengths	119.249, 150.969, 142.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.790 - 2.050
R-factor	0.2194
Rwork	0.217
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.818
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.790	2.123
High resolution limit [Å]	2.050	2.050
Rmerge	0.069	0.238
Number of reflections	80381	7953
<I/σ(I)>	3	7.2
Completeness [%]	99.8
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291.15	200 mM MgCl2, 100 mM HEPES pH 7.5 and 18% PEG8000