4WWS

Structure of Chlorite dismutase-like Protein from Listeria monocytogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	78.000, 128.320, 78.150
Unit cell angles	90.00, 105.91, 90.00

Refinement procedure

Resolution	48.758 - 2.000
R-factor	0.2015
Rwork	0.198
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nn1
RMSD bond length	0.003
RMSD bond angle	0.591
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.760	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.196	0.939
Number of reflections	99373
<I/σ(I)>	6.77	1.59
Completeness [%]	99.8	99.99
Redundancy	4.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	1.1 M Na K tartrate, 8% glycerol, 0.1 M TrisHCl, 1/10 Silver Bullets 52: Protamine Sulfate
1	VAPOR DIFFUSION, HANGING DROP	9	295	1.1 M Na K tartrate, 8% glycerol, 0.1 M TrisHCl, 1/10 Silver Bullets 52: Protamine Sulfate