9GPI

Structure of RmlD from Trichomonas vaginalis is space group P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97220
Spacegroup name	P 1
Unit cell lengths	58.085, 66.981, 85.822
Unit cell angles	91.16, 100.66, 116.15

Refinement procedure

Resolution	52.020 - 2.400
R-factor	0.2412
Rwork	0.238
R-free	0.29340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.863
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.080	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.631	1.441
Rpim	0.291	0.666
Number of reflections	69087	3179
<I/σ(I)>	1.2
Completeness [%]	88.2	71.69
Redundancy	5.6	5.6
CC(1/2)	0.695	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	200 mM magnesium formate and 20% (w/v) PEG 3350