5M8H

ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-05
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	94.020, 146.730, 101.900
Unit cell angles	90.00, 102.40, 90.00

Refinement procedure

Resolution	30.630 - 2.340
R-factor	0.2295
Rwork	0.227
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vd2 3od1
RMSD bond length	0.010
RMSD bond angle	1.438
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.630	30.630	2.380
High resolution limit [Å]	2.340	12.820	2.340
Rmerge	0.135	0.042	0.969
Number of reflections	110587
<I/σ(I)>	6.3
Completeness [%]	97.6	93	81
Redundancy	3.5	3.7	2.4
CC(1/2)	0.994	0.998	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	11% PEG3350, 0.1M bicine pH8.5, 0.15M strontium chloride, 0.15M potassium bromide, 4% 1,6-hexanediol