3E8J

Coproporphyrinogen III oxidase from Leishmania naiffi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	56.097, 73.147, 184.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.270
R-factor	0.191
Rwork	0.188
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qt8
RMSD bond length	0.008
RMSD bond angle	1.019
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.5.0047)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.350
High resolution limit [Å]	2.270	4.890	2.270
Rmerge	0.057	0.022	0.263
Number of reflections	34890
Completeness [%]	97.0	99.7	87.1
Redundancy	6.7	6.9	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1 M ammonium acetate (not pH'ed), 0.1 M bis-tris (pH 5.5), 21% PEG 10K, 5 mM DTT; cryoprotected with 10% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K