3PF3

Crystal structure of a mutant (C202A) of Triosephosphate isomerase from Giardia lamblia derivatized with MMTS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	2008-09-27
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	56.373, 102.881, 118.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.901 - 2.098
R-factor	0.1816
Rwork	0.180
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dp3
RMSD bond length	0.011
RMSD bond angle	1.167
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	38.900
High resolution limit [Å]	2.098
Rmerge	0.068
Number of reflections	20391
<I/σ(I)>	8.5
Completeness [%]	98.9
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	5MICROL OF C202A (13MG/ML) DISSOLVED IN 100MM TRIETHANOLAMINE, 10MM EDTA, MIXED WITH 5MICROL OF 2M AMMONIUM SULFATE,5% ISOPROPANOL, pH 7.4. Crystals were soaked with S-methyl methanethiosulfonate (MMTS), VAPOR DIFFUSION, SITTING DROP, temperature 291K