7AQM

ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with alpha-1''-O-methyl-ADP-ribose (meADPr)

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	2020-07-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	66.825, 97.613, 107.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.698 - 2.500
R-factor	0.2281
Rwork	0.223
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hh3
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.720	56.740	2.380
High resolution limit [Å]	2.340	6.350	2.340
Rmeas	0.293	0.063
Rpim	0.081	0.018
Total number of observations	393655
Number of reflections	30398	1673	1496
<I/σ(I)>	5.6	33.2	0.2
Completeness [%]	100.0	100	99.1
Redundancy	13	12.1	11.9
CC(1/2)			0.213

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293.15	100 mM Na-citrate (pH 5) 200 mM ammonium acetate 22% (w/v) PEG4000