9BZR

Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-09
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97926
Spacegroup name	C 1 2 1
Unit cell lengths	75.255, 41.914, 78.053
Unit cell angles	90.00, 116.96, 90.00

Refinement procedure

Resolution	35.540 - 1.400
R-factor	0.1633
Rwork	0.161
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.758
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.148	0.741
Rpim		0.334
Number of reflections	41957	1928
<I/σ(I)>	17.2
Completeness [%]	97.5
Redundancy	5.1
CC(1/2)	0.977	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1.9 M Sodium malonate pH 5.0