5TBT

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

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	100.153, 100.153, 100.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.823 - 2.101
R-factor	0.1922
Rwork	0.190
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cxs
RMSD bond length	0.002
RMSD bond angle	0.604
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]	57.823	57.820	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.194	0.052	1.517
Number of reflections	19849
<I/σ(I)>	7.2
Completeness [%]	99.9	98.8	100
Redundancy	6.9	6.5	7
CC(1/2)		0.998	0.598

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