5TBU

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

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	99.708, 99.708, 99.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.566 - 2.100
R-factor	0.1904
Rwork	0.189
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cxs
RMSD bond length	0.002
RMSD bond angle	0.524
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]	57.566	70.500	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.168	0.044	0.851
Number of reflections	19582
<I/σ(I)>	9.1
Completeness [%]	99.9	100	99.1
Redundancy	6.7	7.7	4.7

Crystallization Conditions

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