5HUV

Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 64
Unit cell lengths	98.638, 98.638, 186.592
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.319 - 2.002
R-factor	0.1465
Rwork	0.145
R-free	0.17050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Candida albicans Tps1
RMSD bond length	0.007
RMSD bond angle	1.107
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.091	0.043	0.443
Rmeas	0.098	0.046	0.476
Rpim	0.036	0.017	0.173
Total number of observations	514978
Number of reflections	69000
<I/σ(I)>	10.3
Completeness [%]	100.0	100	100
Redundancy	7.5	7.6	7.5
CC(1/2)		0.998	0.903

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