3IU8

M. tuberculosis methionine aminopeptidase with Ni inhibitor T03

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Collection date	2009-06-19
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	105.728, 105.728, 50.427
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.490 - 1.850
R-factor	0.167
Rwork	0.165
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yj3
RMSD bond length	0.028
RMSD bond angle	1.968
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.156	0.055	0.714
Number of reflections	27549
<I/σ(I)>	6.2
Completeness [%]	99.5	99.9	90.5
Redundancy	11.1	10.6	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Bis-Tris, pH 5.5, 1.4 M AMS, 15% glycerol, vapor diffusion, hanging drop, temperature 298K