4MYF

Crystal structure of Trypanosoma cruzi formiminoglutamase(oxidized) with Mn2+2 at pH 6.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2012-09-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	129.548, 129.548, 42.665
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.140 - 1.799
R-factor	0.1726
Rwork	0.171
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a0m
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((CCP4))
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.117	0.466
Number of reflections	24348
<I/σ(I)>	9.978	2.273
Completeness [%]	98.2	97.3
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	294	An apo-T.cruzi fromiminoglutamase(ox) crystal was soaked in 20 mM MnCl2, 0.1 M sodium malonate (pH 6.0), 25% PEG 3350 for 12 hours, VAPOR DIFFUSION, SITTING DROP, temperature 294K