5N29

An improved model of the Trypanosoma brucei CTP synthase glutaminase domain:acivicin complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98004
Spacegroup name	P 21 21 21
Unit cell lengths	50.480, 63.680, 76.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.19346
Rwork	0.191
R-free	0.23528
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.232
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.100
Rmerge	0.080
Number of reflections	14866
<I/σ(I)>	13.9
Completeness [%]	100.0
Redundancy	7.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	CRYSTALLIZATION CONDITIONS: 0.15 M POTASSIUM BROMIDE, 30 % PEG MONOMETHYL ETHER 2000