8QOM

Capra hircus reactive intermediate deaminase A mutant - R107W

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	88.442, 88.442, 88.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.260 - 1.654
Rwork	0.165
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.237
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.260	1.770
High resolution limit [Å]	1.650	1.740
Rmerge	0.133
Rmeas	0.134
Number of reflections	44033	1231
<I/σ(I)>	17.9
Completeness [%]	99.8
Redundancy	41.2
CC(1/2)	0.998	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M SPG, 25% w/v PEG 1500