2Q0G

Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UPU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Collection date	2006-11-25
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	81.544, 41.953, 106.593
Unit cell angles	90.00, 95.62, 90.00

Refinement procedure

Resolution	46.520 - 2.300
R-factor	0.231
Rwork	0.228
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ikf
RMSD bond length	0.013
RMSD bond angle	1.608
Data reduction software	d*TREK
Data scaling software	d*TREK (9.2L)
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.530	46.530	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.141	0.052	0.520
Total number of observations		12172	11771
Number of reflections	32493
<I/σ(I)>	5.6	16.2	2.1
Completeness [%]	99.9	99.7	100
Redundancy	3.65	3.53	3.68

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 UTP, crystals soaked in 10 mM UPU for 30 minutes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K