3DWR

Leishmania major coproporphyrinogen III oxidase with bound ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.03322
Spacegroup name	P 1 21 1
Unit cell lengths	75.487, 48.060, 84.442
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	50.000 - 1.660
R-factor	0.164
Rwork	0.163
R-free	0.18600
Starting model (for MR)	2qt8
RMSD bond length	0.010
RMSD bond angle	1.224
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	1.720
High resolution limit [Å]	1.660	3.580	1.660
Rmerge	0.038	0.026	0.267
Number of reflections	63608
<I/σ(I)>	21.7
Completeness [%]	88.3	99.7	41.3
Redundancy	3.6	4.1	1.8

Crystallization Conditions

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