5UGF

Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	104.960, 124.270, 136.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.260 - 2.200
R-factor	0.21503
Rwork	0.214
R-free	0.23809
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3phb
RMSD bond length	0.009
RMSD bond angle	1.368
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.260	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.170
Number of reflections	91303
<I/σ(I)>	5.8	1.8
Completeness [%]	100.0	100
Redundancy	6.6	6
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	100 mM HEPES, pH 7.5, 0.2 M lithium sulfate, 25% w/v PEG3350