3PKE

M. tuberculosis MetAP with bengamide analog Y10, in Ni form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Collection date	2009-07-18
Spacegroup name	P 63
Unit cell lengths	105.454, 105.454, 50.124
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.060 - 1.600
R-factor	0.1743
Rwork	0.172
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	2.216
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.153	0.057	0.813
Number of reflections	41930
<I/σ(I)>	5.5
Completeness [%]	99.5	93.2	100
Redundancy	6.2	6.4	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1M Bis-Tris, pH 5.5, 1.3M AMS, 10% glycerol, vapor diffusion, hanging drop, temperature 298K