7KH9

Crystal structure of OXA-48 K73A in complex with imipenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-11-24
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	44.690, 104.750, 125.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.870 - 2.290
R-factor	0.1859
Rwork	0.184
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
RMSD bond length	0.003
RMSD bond angle	0.768
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.19rc3_4028)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.900	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.051	0.252
Number of reflections	53411	5218
<I/σ(I)>	10.73	3.15
Completeness [%]	99.0	99
Redundancy	2	2
CC(1/2)	0.995	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Tris-HCl pH 8.5, 15% PEG 20000