4CDB

Crystal structure of listeriolysin O

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-03
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	26.720, 85.150, 229.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.638 - 2.150
R-factor	0.1963
Rwork	0.194
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pfo
RMSD bond length	0.002
RMSD bond angle	0.608
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.150	2.150
Rmerge	0.140	0.920
Number of reflections	29894
<I/σ(I)>	15.76	1.7
Completeness [%]	99.9	99.4
Redundancy	10.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		pH 5.5