4WZH

Dihydroorotate dehydrogenase from Leishmania Viannia braziliensis

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	PIXEL
Collection date	2014-10-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45866
Spacegroup name	P 21 21 21
Unit cell lengths	61.160, 105.690, 106.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.579 - 2.120
R-factor	0.1789
Rwork	0.176
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gye
RMSD bond length	0.008
RMSD bond angle	1.101
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.100	2.230
High resolution limit [Å]	2.120	2.120
Rmerge	0.231	1.233
Number of reflections	39159
<I/σ(I)>	2	2
Completeness [%]	99.3	97.1
Redundancy	11	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1 M HEPES pH 7.5, 1.6 M Ammonium sulfate