4KCE

Crystal structure of the mitochondrial peroxiredoxin from Leishmania braziliensis in the dimeric form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.459
Spacegroup name	P 42 21 2
Unit cell lengths	132.485, 132.485, 44.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.916 - 2.790
R-factor	0.2418
Rwork	0.238
R-free	0.27840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.069
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.289	40.289	2.960
High resolution limit [Å]	2.790	8.220	2.790
Rmerge	0.200	0.032	0.032
Number of reflections	10240	468	1506
<I/σ(I)>	10.58	39.34	0.85
Completeness [%]	98.7	97.9	92.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	27% PEG 4.000 (w/v), 0.1 M Tris-HCl pH 8.5 and 0.2 M lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K