6HGZ

ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	66.793, 97.638, 106.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.950 - 1.860
R-factor	0.1766
Rwork	0.175
R-free	0.20999
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2foz
RMSD bond length	0.012
RMSD bond angle	1.489
Data reduction software	xia2
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.953	2.008
High resolution limit [Å]	1.858	1.858
Rmerge	0.092	1.355
Rmeas	0.097	1.447
Rpim	0.032	0.494
Number of reflections	36681	1834
<I/σ(I)>	14.5	1.4
Completeness [%]	94.9	87.7
Redundancy	9	8.3
CC(1/2)	0.999	0.597

Crystallization Conditions

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