3WBZ

Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-17
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	74.830, 217.870, 87.240
Unit cell angles	90.00, 113.68, 90.00

Refinement procedure

Resolution	42.259 - 2.392
R-factor	0.1773
Rwork	0.176
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ote
RMSD bond length	0.009
RMSD bond angle	1.261
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.008		2.540
High resolution limit [Å]	2.390	7.090	2.390
Rmerge	0.036	0.018	0.259
Rmeas		0.021	0.306
Number of reflections	97820	3246	14547
<I/σ(I)>	23.93	52.8	5.19
Completeness [%]	97.1	82.2	89.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Bis-Tris propan, NaNO3, PEG3350, pH 8.0, vapor diffusion, sitting drop, temperature 293K