5DXI

Structure of C. albicans Trehalose-6-phosphate phosphatase C-terminal domain

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)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	58.757, 87.200, 139.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.426 - 2.000
R-factor	0.2011
Rwork	0.200
R-free	0.24160
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.099
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
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	0.053	0.020	0.527
Rmeas	0.060	0.022	0.594
Rpim	0.027	0.010	0.272
Total number of observations	236274
Number of reflections	49245
<I/σ(I)>	11
Completeness [%]	99.9	98.9	100
Redundancy	4.8	4.6	4.7
CC(1/2)		1.000	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris, 0.2 M lithium sulfate, 2 M ammonium sulfate