6HOZ

ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with inosine diphosphate ribose (IDPr)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	66.844, 96.933, 107.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.100 - 1.770
R-factor	0.15963
Rwork	0.158
R-free	0.18872
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2foz
RMSD bond length	0.012
RMSD bond angle	1.512
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.950	1.820
High resolution limit [Å]	1.770	1.770
Rmerge	0.120	1.896
Rmeas	0.130	2.108
Rpim	0.051	0.912
Number of reflections	68856	5010
<I/σ(I)>	10.9	1.2
Completeness [%]	100.0	100
Redundancy	12.5	10.2
CC(1/2)	0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 MM AMMONIUM ACETATE, 21 % PEG4000, 100 MM CITRATE PH 4.5,