4G75

Structure of PaeM, a colicin M-like bacteriocin produced by Pseudomonas aeruginosa

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	42.920, 71.500, 99.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.959 - 1.700
R-factor	0.181
Rwork	0.179
R-free	0.21440
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.933
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	62510
<I/σ(I)>	8.6	2.2
Completeness [%]	95.6	98.4
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	200mM MgCl2; 100mM Tris-HCl pH 8.5; 30% (w/v) PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K