7PN0

Crystal structure of the Phosphorybosylpyrophosphate synthetase II from Thermus thermophilus at R32 space group

Replaces:  7AWO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9790
Spacegroup name	H 3 2
Unit cell lengths	106.290, 106.290, 333.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.770 - 1.850
R-factor	0.1879
Rwork	0.186
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t3o
RMSD bond length	0.011
RMSD bond angle	1.668
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.105	0.546
Number of reflections	59412	4323
<I/σ(I)>	14.31
Completeness [%]	100.0
Redundancy	7.01
CC(1/2)	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		293	1,7M lithium sulphate, 0,1M HEPES pH 7.5, 0,04%NaN3, 5mM MgCl2