3WC1

Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with a G-1 deleted tRNA(His)

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	2011-11-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.97906
Spacegroup name	P 31 2 1
Unit cell lengths	96.530, 96.530, 300.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.952 - 4.180
R-factor	0.295
Rwork	0.292
R-free	0.33480
Starting model (for MR)	3wc2
RMSD bond length	0.003
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.8.2_1309)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.786		4.430
High resolution limit [Å]	4.180	12.180	4.180
Rmerge	0.121	0.048	0.956
Rmeas		0.052	1.003
Number of reflections	12539	560	1856
<I/σ(I)>	12.45	33.73	2.48
Completeness [%]	98.8	94.9	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	Bis-Tris propan, CaCl2, PEG3350, pH 6.0, vapor diffusion, sitting drop, temperature 293K