5TBV

Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with tubercidin

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	2015-08-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9200
Spacegroup name	P 21 3
Unit cell lengths	91.981, 91.981, 91.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.041 - 1.950
R-factor	0.1799
Rwork	0.179
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cxs
RMSD bond length	0.010
RMSD bond angle	1.068
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.041	65.040	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.096	0.029	0.825
Number of reflections	19223
<I/σ(I)>	9.4
Completeness [%]	100.0	100	100
Redundancy	5.4	4.9	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.2M ammonium acetate, 0.1M Bis-Tris pH6.5, 30% PEG3350