5CXS

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 3
Unit cell lengths	97.847, 97.847, 97.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.462 - 1.750
R-factor	0.152
Rwork	0.150
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3faz
RMSD bond length	0.018
RMSD bond angle	1.694
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.730	43.730	1.790
High resolution limit [Å]	1.740	7.780	1.740
Rmerge	0.061	0.023	0.723
Number of reflections	32239
<I/σ(I)>	25.5
Completeness [%]	100.0	99	100
Redundancy	11	10.2	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	10% PEG 4000, 20% Glycerol, 30mM diethyleneglycol 30mM tetraethyleneglycol, 30mM pentaethyleneglycol, 100mM Mes/Imidazol pH 6.5