4DY9

Leishmania major Peroxidase is a Cytochrome c Peroxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-24
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	35.280, 44.000, 64.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 2.082
R-factor	0.1635
Rwork	0.161
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	yeast cytochrome c
RMSD bond length	0.007
RMSD bond angle	1.214
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.300	2.120
High resolution limit [Å]	2.080	2.080
Rmerge	0.043
Number of reflections	6330
<I/σ(I)>	64.3	38.6
Completeness [%]	99.1	97.8
Redundancy	5.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	PEG 2K MME, Potassium Bromide, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K