6CK7

Crystal structure of a peptide deformylase from Legionella pneumophila bound to actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97741
Spacegroup name	P 1 21 1
Unit cell lengths	44.650, 132.060, 90.380
Unit cell angles	90.00, 103.64, 90.00

Refinement procedure

Resolution	43.391 - 1.650
R-factor	0.1826
Rwork	0.182
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6caz
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.391	43.391	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.036	0.022	0.311
Rmeas	0.044	0.026	0.396
Total number of observations	377650
Number of reflections	119433	1366	8163
<I/σ(I)>	15.82	36.44	2.48
Completeness [%]	97.9	96.6	91
Redundancy	3.162	3.257	2.207
CC(1/2)	0.999	0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	16.2 mg/mL LepnA.00882.a.B1.PW38390 + 2 mM actinonin against Wiz III/IV screen condition C6 (25.5% PEG4000, 0.17 M ammonium, 15% glycerol), cryoprotection: direct, crystal tracking ID 297899c6, unique puck ID iap4-1