8OGH

Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis with butylacetylphosphonate (BAP) bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033300
Spacegroup name	P 1 21 1
Unit cell lengths	63.462, 127.775, 79.583
Unit cell angles	90.00, 106.88, 90.00

Refinement procedure

Resolution	48.940 - 1.600
R-factor	0.1562
Rwork	0.155
R-free	0.17210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	155741	7495
<I/σ(I)>	15.8	2.2
Completeness [%]	98.2	95.9
Redundancy	7	7
CC(1/2)	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	291	0.1 M MES-Imidazole pH 6.3, 10% PEG 8000 , 20% Ethylene-glycol