5DXL

Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	200
Detector technology	CCD
Collection date	2015-08-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	45.383, 65.472, 118.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.030 - 1.573
R-factor	0.2015
Rwork	0.200
R-free	0.22960
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.007
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	1.600
High resolution limit [Å]	1.570	4.260	1.570
Rmerge	0.108	0.081	0.637
Rmeas	0.112	0.084	0.665
Rpim	0.029	0.022	0.192
Total number of observations	718057
Number of reflections	49890
<I/σ(I)>	8.8
Completeness [%]	99.1	99.6	82.6
Redundancy	14.4	13.8	11.7
CC(1/2)		0.997	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M sodium citrate, 16% PEG8000