8EO5

Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980112
Spacegroup name	P 21 21 2
Unit cell lengths	74.270, 162.620, 71.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.940 - 1.800
R-factor	0.1903
Rwork	0.189
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e25
RMSD bond length	0.017
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	1.910
High resolution limit [Å]	1.800	1.800
Rmeas	0.131	2.172
Number of reflections	80573	12790
<I/σ(I)>	15.57	1.4
Completeness [%]	99.9	99.5
Redundancy	13.5	13.77
CC(1/2)	0.990	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	294	13% PEG 20,000 + 0.1M Tris pH 8.2 + 0.1 M magnesium chloride