6FTT

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

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	P 1 21 1
Unit cell lengths	93.770, 147.790, 98.940
Unit cell angles	90.00, 103.05, 90.00

Refinement procedure

Resolution	77.700 - 2.290
R-factor	0.1953
Rwork	0.193
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m8h
RMSD bond length	0.007
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.700	2.350
High resolution limit [Å]	2.290	2.290
Rmerge	0.096	0.886
Rmeas	0.111	1.015
Rpim	0.053	0.491
Number of reflections	117580	8706
<I/σ(I)>	10.8	1.7
Completeness [%]	99.8	99.9
Redundancy	4.1	4.2
CC(1/2)	0.997	0.557

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)