5DXF

Structure of Candida albicans trehalose-6-phosphate phosphatase N-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	200
Detector technology	CCD
Collection date	2013-10-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	98.311, 98.311, 452.832
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.868 - 2.563
R-factor	0.2673
Rwork	0.266
R-free	0.29820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uqu
RMSD bond length	0.005
RMSD bond angle	0.986
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	2.600
High resolution limit [Å]	2.560	6.940	2.560
Rmerge	0.098	0.033	0.525
Total number of observations	258931
Number of reflections	42110
<I/σ(I)>	9.2
Completeness [%]	97.6	88.6	92.2
Redundancy	6.1	4.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M sodium cacodylate, 1.2 M sodium citrate