5F73

Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase in APO form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 1 21 1
Unit cell lengths	81.440, 82.160, 150.910
Unit cell angles	90.00, 101.50, 90.00

Refinement procedure

Resolution	39.580 - 2.060
R-factor	0.1773
Rwork	0.175
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l5y
RMSD bond length	0.007
RMSD bond angle	0.796
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]	39.580	39.580	2.110
High resolution limit [Å]	2.060	9.210	2.060
Rmerge	0.094	0.030	0.595
Number of reflections	119129
<I/σ(I)>	11.2
Completeness [%]	98.8	98.3	94.3
Redundancy	4.2	4.3	3.8

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