8T41

Crystal structure of aminopeptidase N from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-03-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	283.588, 56.747, 58.138
Unit cell angles	90.00, 97.88, 90.00

Refinement procedure

Resolution	140.450 - 1.450
R-factor	0.1439
Rwork	0.143
R-free	0.16616
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.851
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (v5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.270
High resolution limit [Å]	1.200	3.590	1.200
Rmerge	0.036	0.024	0.405
Rmeas	0.043	0.028	0.559
Number of reflections	231776	10672	13870
<I/σ(I)>	16.15
Completeness [%]	81.0
Redundancy	3.2
CC(1/2)	0.999	0.998	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	25% PEG3350, 0.2M (NH4)2SO4, 0.1M Tris-HCl