6G1Q

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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	66.905, 97.458, 105.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.160 - 2.100
R-factor	0.21953
Rwork	0.218
R-free	0.25839
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2foz
RMSD bond length	0.012
RMSD bond angle	1.559
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.160	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.085	0.903
Rmeas	0.092	0.974
Rpim	0.035	0.364
Number of reflections	41057	3339
<I/σ(I)>	13.8	2.4
Completeness [%]	100.0	100
Redundancy	13.1	13.6
CC(1/2)	0.999	0.836

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