6HH5

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

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	66.869, 98.178, 105.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.460 - 1.950
R-factor	0.18731
Rwork	0.186
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2foz
RMSD bond length	0.011
RMSD bond angle	1.456
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]	44.500	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.105	1.837
Rmeas	0.119	2.087
Rpim	0.057	0.977
Number of reflections	51249	3716
<I/σ(I)>	8.3	0.9
Completeness [%]	99.8	99.3
Redundancy	8.5	8.6
CC(1/2)	0.995	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293.15	200 MM AMMONIUM ACETATE, 25 % (W/V), PEG4000, 100 MM CITRATE PH 5.6