5DX9

Structure of trehalose-6-phosphate phosphatase from Cryptococcus neoformans

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]	200
Detector technology	CCD
Collection date	2015-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 61 2 2
Unit cell lengths	63.074, 63.074, 284.315
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.311 - 2.150
R-factor	0.2336
Rwork	0.230
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.723
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	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.088	0.052	0.883
Rmeas	0.093	0.056	0.933
Rpim	0.030	0.018	0.298
Total number of observations	192164
Number of reflections	19314
<I/σ(I)>	10.3
Completeness [%]	99.3	94.2	100
Redundancy	9.9	8.5	9.6
CC(1/2)		0.998	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M magnesium chloride, 20% PEG400, 10% PEG8000