4DS2

Ubiquitin conjugating enzyme (putative) from Trypanosoma cruzi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	60.139, 70.376, 99.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.630
R-factor	0.2314
Rwork	0.229
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.644
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.720
High resolution limit [Å]	2.630	5.660	2.630
Rmerge	0.200	0.211	0.394
Number of reflections	11741
<I/σ(I)>	6.3
Completeness [%]	89.7	99.8	55.1
Redundancy	4.1	4.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4	277	Crystallization buffer: 100 mM KH2PO4, 50 mM Sodium Citrate pH 4.0, 4% PEG 20000, 2% PEG 400. Protein buffer: 20 mM HEPES pH 7.5, 500 mM NaCl, 2 mM DTT, 5% glycerol. Cryo: ethylene glycol, vapor diffusion, temperature 277K