8QOK

Capra hircus reactive intermediate deaminase A mutant - E124A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873
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	39.560 - 1.200
R-factor	0.1563
Rwork	0.155
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.198
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.560	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.026	0.388
Rmeas	0.037	0.549
Number of reflections	72054	3534
<I/σ(I)>	13.1
Completeness [%]	100.0
Redundancy	1.9
CC(1/2)	0.999	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M Sodium sulfate, 0.1 M Bis-Tris propane 7.5, 20 % w/v PEG 3350