6FCT

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 1 2 1
Unit cell lengths	70.580, 33.930, 92.391
Unit cell angles	90.00, 104.86, 90.00

Refinement procedure

Resolution	21.360 - 1.890
R-factor	0.1819
Rwork	0.180
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5M8H chain E
RMSD bond length	0.007
RMSD bond angle	1.311
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.360	1.930
High resolution limit [Å]	1.890	1.890
Rmerge	0.094	0.513
Rmeas	0.110	0.634
Rpim	0.055	0.365
Total number of observations	62686
Number of reflections	17100	904
<I/σ(I)>	8
Completeness [%]	98.5	83.8
Redundancy	3.7	2.8
CC(1/2)	0.996	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	10mg/ml protein in 20mM Tris HCl pH8.0, 50mM KCl, 10mM MgCl2, 2mM DTT mixed 1:1 with 32% PEG 3350, 0.1M MOPS pH6.5, 0.1M K/Na tartrate