9GSC

Structure of RmlD from Trichomonas vaginalis is space group P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	70.400, 108.311, 153.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.350 - 2.800
R-factor	0.2651
Rwork	0.263
R-free	0.30360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.497
Data reduction software	d*TREK
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.350	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.697	1.605
Number of reflections	29580	2773
<I/σ(I)>	27.87	5.2
Completeness [%]	89.5
Redundancy	13.7
CC(1/2)	0.866	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	00 mM magnesium formate and 20% (w/v) PEG 3350