8EO6

Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 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	74.080, 162.110, 70.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.660 - 2.350
R-factor	0.1968
Rwork	0.196
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e25
RMSD bond length	0.006
RMSD bond angle	1.036
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]	43.660	2.490
High resolution limit [Å]	2.350	2.350
Rmeas	0.283	2.330
Number of reflections	36200	5654
<I/σ(I)>	11.78	1.62
Completeness [%]	99.7	98.1
Redundancy	13.4	12.72
CC(1/2)	0.997	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	294	1.6 M sodium formate