6TK9

Purine-nucleoside phosphorylase from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-12
Detector	DECTRIS EIGER R 1M
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	89.850, 120.950, 215.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.500
R-factor	0.2197
Rwork	0.217
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uc0
RMSD bond length	0.007
RMSD bond angle	1.583
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.000
High resolution limit [Å]	2.500	2.500
Rmerge	0.085	0.435
Rmeas		0.491
Number of reflections	80416	33938
<I/σ(I)>	13.32
Completeness [%]	98.1
Redundancy	4.35
CC(1/2)	0.998	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		297	SA