3TAV

Crystal structure of a Methionine Aminopeptidase from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979175
Spacegroup name	P 32 2 1
Unit cell lengths	119.640, 119.640, 96.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.1884
Rwork	0.187
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.456
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.071	0.045	0.385
Number of reflections	43354	400	3207
<I/σ(I)>	13.94	20.8	3.3
Completeness [%]	99.4	71.8	99.9
Redundancy	6.1		5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MyabA.01548.b.A1 PS01037 at 56.7 mg/mL with full 21 aa tag against JCSG + f9, 2.4 M Na malonate with 25% ethylene glycol as cryo-protectant, crystal tracking ID 222124f9, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K