2NOM

Terminal uridylyl transferase 4 from Trypanosoma brucei with bound dUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	79.142, 41.659, 104.286
Unit cell angles	90.00, 96.46, 90.00

Refinement procedure

Resolution	41.200 - 2.400
R-factor	0.234
Rwork	0.230
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ikf
RMSD bond length	0.011
RMSD bond angle	1.422
Data reduction software	d*TREK
Data scaling software	d*TREK (9.2L)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.200	41.190	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.178	0.077	0.509
Total number of observations		9021	9515
Number of reflections	26868
<I/σ(I)>	4.9	10.6	2
Completeness [%]	99.5	98.8	99.8
Redundancy	3.48	3.18	3.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100 mM sodium cacodylate pH 6.5, 200 mM magnesium chloride, 18% PEG-8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K