28RZ

Crystal Structure of the Apo Form of Mycobacterium tuberculosis Guanylate Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-19
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54184
Spacegroup name	I 2 3
Unit cell lengths	112.005, 112.005, 112.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.670 - 2.500
R-factor	0.2286
Rwork	0.223
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.559
Data reduction software	CrysalisPro (42.89a 64-bit (release 24-03-2023))
Data scaling software	Aimless (9.0.007)
Phasing software	PHASER (2.0-5793)
Refinement software	PHENIX (2.0-5793)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.670	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.080	0.718
Rmeas	0.108	1.016
Rpim	0.072	0.718
Number of reflections	7812	870
<I/σ(I)>	6.4	0.5
Completeness [%]	95.3	93.9
Redundancy	2.4
CC(1/2)	0.988	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	283	0.1 M TRIS-HCl pH 8.5, 2.4 M (NH4)2SO4