4KB3

Crystal structure of the mitochondrial peroxiredoxin from Leishmania braziliensis in the decameric 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	2012-10-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	90.212, 98.901, 228.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.930
R-factor	0.234
Rwork	0.231
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.122
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.110
High resolution limit [Å]	2.930	8.610	2.930
Completeness [%]	99.2	98.3	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	291	0.1 M MMT buffer pH 4.4, 13.9%w/v PEG 1,500, VAPOR DIFFUSION, HANGING DROP, temperature 291K