6P9C

OXA-48 carbapanemase, doripenem 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	2019-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	72.604, 76.749, 101.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.512 - 1.900
R-factor	0.1966
Rwork	0.194
R-free	0.24100
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]	38.400	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	44627	2758
<I/σ(I)>	10.4	2.4
Completeness [%]	98.7
Redundancy	7.4

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