9FXE

D204N mutant of Purine Nucleoside Phosphorylase from E.coli in complex with N2,3-etheno-2-aminopurine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	1.0332
Spacegroup name	P 61 2 2
Unit cell lengths	120.525, 120.525, 241.206
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.220 - 2.120
R-factor	0.2058
Rwork	0.204
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.835
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.220	2.196
High resolution limit [Å]	2.120	2.120
Rmerge	0.290	3.430
Rmeas	0.299	3.481
Rpim	0.045	0.587
Number of reflections	59360	5825
<I/σ(I)>	15.24	1.15
Completeness [%]	97.5	100
Redundancy	40.3	34.5
CC(1/2)	0.999	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	Citrate buffer pH 5.2, amonium sulphate 24% w/v