9VPV

Crystal structure of the C131A mutant of Trypanosoma brucei DHODH in FMN-oxidized, orotate-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2016-05-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	139.687, 146.531, 65.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.150 - 2.400
R-factor	0.18545
Rwork	0.183
R-free	0.22997
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xfv
RMSD bond length	0.004
RMSD bond angle	1.252
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.140	0.493
Number of reflections	53983	2659
<I/σ(I)>	18.8
Completeness [%]	99.9
Redundancy	7.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	1.2 M malonate, 0.1 M citrate (8.3), 100 mM Arg, 12.5 mM OA (co-crystallization).