6MRF

Crystal structure of a Methionine aminopeptidase MetAP from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	52.770, 53.690, 84.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.725 - 1.650
R-factor	0.1704
Rwork	0.168
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mx6
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.725	44.725	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.065	0.036	0.596
Rmeas	0.071	0.041	0.655
Number of reflections	29484	386	2147
<I/σ(I)>	15.01	36.2	2.83
Completeness [%]	99.9	99	99.6
Redundancy	5.676	4.769	5.729
CC(1/2)	0.998	0.998	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	287	AcbaB.00039.a.B6.PW38090 at 26.5 mg/mL with 5 mM methionine and 5 mM MgCl2 against JCSG+ screen condition B9: 0.1 M sodium citrate pH 5.0, 20% PEG 6,000; cryo-protectant 20% ethylene glycol, unique puck ID jht7-2, crystal tracking ID 286134b9