8IZJ

Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-16
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8731
Spacegroup name	P 1 21 1
Unit cell lengths	41.752, 86.942, 48.664
Unit cell angles	90.00, 110.48, 90.00

Refinement procedure

Resolution	45.590 - 1.600
R-factor	0.16625
Rwork	0.165
R-free	0.19208
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.725
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.590	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.088	0.612
Rmeas	0.097	0.675
Rpim	0.041	0.281
Number of reflections	42857	2114
<I/σ(I)>	10.8
Completeness [%]	99.8	100
Redundancy	5.7	5.6
CC(1/2)	0.990	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	297	100 MM TRIS-HCL PH 8.0, 20 % PEG 4000, 0.2 M MGCL2