9HN8

Apo Structure of Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis

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	2021-12-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	67.180, 126.772, 80.553
Unit cell angles	90.00, 107.70, 90.00

Refinement procedure

Resolution	48.870 - 2.650
R-factor	0.2486
Rwork	0.247
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.302
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.870	2.770
High resolution limit [Å]	2.650	2.650
Rmerge	0.111
Rmeas	0.125
Rpim	0.056
Number of reflections	36816	4444
<I/σ(I)>	9.6
Completeness [%]	98.6
Redundancy	4.6
CC(1/2)	0.997	0.509

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