6FCA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-15
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5148
Spacegroup name	I 1 2 1
Unit cell lengths	70.570, 33.900, 90.769
Unit cell angles	90.00, 105.17, 90.00

Refinement procedure

Resolution	24.610 - 2.090
R-factor	0.1935
Rwork	0.191
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5M8H chain E
RMSD bond length	0.007
RMSD bond angle	1.358
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.610	24.610	2.150
High resolution limit [Å]	2.090	8.870	2.090
Rmerge	0.164	0.060	0.492
Rmeas	0.190	0.069	0.602
Rpim	0.094	0.033	0.339
Total number of observations	48170
Number of reflections	12446	173	925
<I/σ(I)>	5.6
Completeness [%]	99.2	95.7	92.4
Redundancy	3.9	3.7	3
CC(1/2)	0.984	0.995	0.659

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