4MYL

Crystal structure of Trypanosoma cruzi Formiminoglutamase (oxidized) at pH 4.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	H 3
Unit cell lengths	129.437, 129.437, 42.569
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.365 - 1.531
R-factor	0.1357
Rwork	0.134
R-free	0.16120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a0m
RMSD bond length	0.008
RMSD bond angle	1.043
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	1.580
High resolution limit [Å]	1.530	1.530
Rmerge	0.077	0.534
Number of reflections	40029
<I/σ(I)>	24.071	2.224
Completeness [%]	99.9	99.9
Redundancy	4.7	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	294	A 4 UL drop of protein solution [10 mg/mL protein, 50 mM bicine (pH 8.5), 100 UM MnCl2] was mixed with a 4 UL drop of precipitant solution [25% PEG 3350, 0.1 M sodium acetate (pH 4.6)] on a siliconized cover slide and equilibrated against a 500 UL reservoir of precipitant solution, VAPOR DIFFUSION, HANGING DROP, temperature 294K