6P99

OXA-48 carbapanemase, ertapenem complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	71.883, 76.822, 101.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.411 - 2.250
R-factor	0.2015
Rwork	0.198
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.411	2.320
High resolution limit [Å]	2.250	2.250
Number of reflections	27260	2443
<I/σ(I)>	10.5	1.4
Completeness [%]	99.9
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5 mM Ca2+, 5 mM Co2+, 5 mM Cd2+, 20% PEG 3350