8QOS

Capra hircus reactive intermediate deaminase A - V25W

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 1 21 1
Unit cell lengths	53.350, 72.669, 106.772
Unit cell angles	90.00, 100.95, 90.00

Refinement procedure

Resolution	37.420 - 2.010
R-factor	0.2402
Rwork	0.238
R-free	0.28450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.651
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]	59.720	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.125
Rmeas	0.136
Number of reflections	61313	2936
<I/σ(I)>	9.3
Completeness [%]	98.0
Redundancy	1.9
CC(1/2)	0.994	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Potassium thiocyanate, 30% w/v PEG 2000 MME