3QPI

Crystal Structure of Dimeric Chlorite Dismutases from Nitrobacter winogradskyi

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.278
Spacegroup name	P 41
Unit cell lengths	102.620, 102.620, 49.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.893 - 2.100
R-factor	0.1956
Rwork	0.193
R-free	0.23830
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.337
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.900
High resolution limit [Å]	2.100
Number of reflections	30125
Completeness [%]	79.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	295	53.6 mM Na2HPO4, 846.4 mM NaH2PO4, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 295K