5F7Z

Crystal structure of Double Mutant S12T and N87T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in APO Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	80.701, 82.255, 150.018
Unit cell angles	90.00, 101.42, 90.00

Refinement procedure

Resolution	79.103 - 1.800
R-factor	0.2119
Rwork	0.211
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f78
RMSD bond length	0.002
RMSD bond angle	0.532
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.260	82.260	1.940
High resolution limit [Å]	1.800	4.760	1.800
Rmerge	0.086	0.054	0.670
Number of reflections	178037
<I/σ(I)>	7.1
Completeness [%]	99.9	100	99.9
Redundancy	3.3	3.3	3.3

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