4L5Y

Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.459
Spacegroup name	P 1 21 1
Unit cell lengths	80.626, 82.400, 150.286
Unit cell angles	90.00, 101.60, 90.00

Refinement procedure

Resolution	19.933 - 2.096
R-factor	0.1858
Rwork	0.184
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.792
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.220
High resolution limit [Å]	2.096	6.030	2.096
Rmerge	0.102	0.040	0.626
Number of reflections	111617	4770	17346
<I/σ(I)>	10.16	27.32	2.35
Completeness [%]	98.4	96.5	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	100mM Bris-tris or Mes, 14-18% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K