3DWS

Leishmania major Coproporphyrinogen III Oxidase with bound ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	53.075, 53.625, 65.599
Unit cell angles	86.22, 77.37, 61.08

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.166
Rwork	0.161
R-free	0.25900
RMSD bond length	0.010
RMSD bond angle	1.143
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (refmac_5.4.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.109	0.055	0.462
Number of reflections	18468
<I/σ(I)>	5.5
Completeness [%]	83.9	95.3	73.7
Redundancy	1.6	1.8	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	200 mM ammonium sulfate, 29% PEG 5000MME, 100 mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K