4HHP

Crystal structure of triosephosphate isomerase from trypanosoma cruzi, mutant e105d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	113
Detector technology	CCD
Collection date	2010-07-28
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	38.716, 44.461, 69.043
Unit cell angles	95.02, 96.08, 114.69

Refinement procedure

Resolution	36.875 - 1.500
R-factor	0.1671
Rwork	0.166
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.118
Refinement software	PHENIX ((phenix.refine: dev_1111))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.875	2.100	1.580
High resolution limit [Å]	1.500	1.940	1.500
Rmerge	0.089
Number of reflections	62998
Completeness [%]	95.6	95.9	92.39
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	281.15	25% w/v PEG monomethyl ether 2000, 0.1 M Tris pH 8.6, 0.01 M Nickel (II) chloride hexahydrate, 5% w/v n-dodecyl-N,N-dimethylamin-N-oxide, VAPOR DIFFUSION, SITTING DROP, temperature 281.15K