4G76

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	42.812, 72.400, 99.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.851 - 2.385
R-factor	0.1737
Rwork	0.170
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g75
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.530
High resolution limit [Å]	2.380	2.380
Number of reflections	22837
<I/σ(I)>	12.7	5.2
Completeness [%]	95.7	83.5
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100mM Hepes pH7.5; 2M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 293K