6FUA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-03
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	101.570, 146.240, 93.800
Unit cell angles	90.00, 102.98, 90.00

Refinement procedure

Resolution	35.040 - 2.800
R-factor	0.2478
Rwork	0.246
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5M8H partial model
RMSD bond length	0.008
RMSD bond angle	1.320
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.040	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.192	1.707
Rmeas	0.224	1.998
Rpim	0.115	1.032
Total number of observations	120442
Number of reflections	32533	4710
<I/σ(I)>	6.4	0.8
Completeness [%]	99.1	98.6
Redundancy	3.7	3.6
CC(1/2)	0.986	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)