2AYV

Crystal structure of a putative ubiquitin-conjugating enzyme E2 from Toxoplasma gondii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-09-06
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	46.553, 85.611, 89.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.001
Rwork	0.226
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x23
RMSD bond length	0.016
RMSD bond angle	1.408
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.5)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.150
High resolution limit [Å]	2.000	3.420	2.000
Rmerge	0.038	0.025	0.331
Number of reflections	12360
Completeness [%]	99.2
Redundancy	5.7	5.8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	3.5M sodium formate, 0.1M sodium acetate, pH 4.6, vapor diffusion, sitting drop, temperature 291K