5I33

Unligated adenylosuccinate synthetase from Cryptococcus neoformans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95
Spacegroup name	P 21 21 21
Unit cell lengths	58.083, 101.040, 163.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.020 - 2.200
R-factor	0.2079
Rwork	0.206
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j4b
RMSD bond length	0.009
RMSD bond angle	1.116
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.020
High resolution limit [Å]	2.200	2.200
Rmerge	0.068
Number of reflections	49839
<I/σ(I)>	19.8
Completeness [%]	99.9
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M bis-tris propane pH 8 0.2 M sodium bromide 17% polyethylene glycol 3350