8Q3H

Capra hircus reactive intermediate deaminase A mutant - A108D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-31
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.968
Spacegroup name	P 21 3
Unit cell lengths	88.461, 88.461, 88.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 1.570
Rwork	0.142
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.682
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.270	1.670
High resolution limit [Å]	1.570	1.570
Rmerge	0.048	0.303
Rmeas	0.050	0.027
Number of reflections	62170	1526
<I/σ(I)>	41.08	10.78
Completeness [%]	100.0
Redundancy	41.2
CC(1/2)	1.000	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M SPG, 25% w/v PEG 1500