2Q0D

Terminal uridylyl transferase 4 from Trypanosoma brucei with bound ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Collection date	2006-07-04
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	80.190, 41.970, 106.420
Unit cell angles	90.00, 94.01, 90.00

Refinement procedure

Resolution	35.380 - 2.000
R-factor	0.222
Rwork	0.221
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ikf
RMSD bond length	0.015
RMSD bond angle	1.547
Data reduction software	d*TREK
Data scaling software	d*TREK (9.2L)
Phasing software	CCP4 (suite)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.870	42.870	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.092	0.028	0.463
Total number of observations		17513	15363
Number of reflections	48171
<I/σ(I)>	8.5	29.4	2.3
Completeness [%]	99.5	99	97.4
Redundancy	3.56	3.48	3.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	100 mM sodium cacodylate, 200 mM calcium acetate, 18% PEG-8000, 4 mM MgCl2, 50 uM ATP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K