9CUN

Crystal structure of Ami1 from M. tuberculosis in complex with a tetrazole compound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	I 21 21 21
Unit cell lengths	37.353, 103.960, 130.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.040 - 1.450
R-factor	0.1808
Rwork	0.180
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.040	1.470
High resolution limit [Å]	1.450	1.450
Number of reflections	44854	2182
<I/σ(I)>	16.6
Completeness [%]	99.0
Redundancy	5.3
CC(1/2)	0.999	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	Ammonium sulphate Sodium chloride HEPES