5HUU

Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and glucose-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-12
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 64
Unit cell lengths	98.682, 98.682, 188.885
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.357 - 2.370
R-factor	0.2025
Rwork	0.200
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Candida albicans Tps1
RMSD bond length	0.003
RMSD bond angle	0.679
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.410
High resolution limit [Å]	2.370	6.430	2.370
Rmerge	0.075	0.058	0.638
Rmeas	0.082	0.064	0.719
Rpim	0.035	0.028	0.326
Total number of observations	238628
Number of reflections	42031
<I/σ(I)>	8.7
Completeness [%]	99.6	96.8	97.3
Redundancy	5.7	5.4	4.6
CC(1/2)		0.996	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2 M lithium sulfate, 0.1 M Tris, 40% PEG 400