6FU2

ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRPP and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	102.720, 146.200, 94.510
Unit cell angles	90.00, 102.16, 90.00

Refinement procedure

Resolution	39.050 - 2.710
R-factor	0.2028
Rwork	0.201
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m8h
RMSD bond length	0.007
RMSD bond angle	1.226
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.110	2.780
High resolution limit [Å]	2.710	2.710
Rmerge	0.093	1.095
Rmeas	0.107	1.248
Rpim	0.052	0.590
Number of reflections	36859	2720
<I/σ(I)>	10.8
Completeness [%]	99.6	99.7
Redundancy	4.1	4.2
CC(1/2)	0.996	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	8mg mL-1 protein (in 20mM Tris pH7, 50mM KCl, 10mM MgCl2, 2mM DTT, 0.5mM histidine) mixed in 1:1 ratio with precipitant solution (11% PEG3350, 100mM bicine pH8.5, 150mM SrCl2, 150mM KBr, 2% 1,6-hexanediol)