5XFW

Crystal structures of FMN-free form of dihydroorotate dehydrogenase from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2013-02-05
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	140.053, 146.218, 66.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.950 - 1.600
R-factor	0.17544
Rwork	0.174
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b4g
RMSD bond length	0.007
RMSD bond angle	1.242
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	180934
<I/σ(I)>	33.7	2.5
Completeness [%]	99.4	97.5
Redundancy	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1 M Sodium Citrate buffer, 1.5-2.5 M Sodium Malonate