7RPA

X-ray crystal structure of OXA-24/40 K84D in complex with meropenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-13
Detector	RAYONIX MX-300
Wavelength(s)	1.0781
Spacegroup name	P 41 21 2
Unit cell lengths	102.770, 102.770, 86.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.020 - 2.270
R-factor	0.2141
Rwork	0.211
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pae
RMSD bond length	0.008
RMSD bond angle	1.741
Data reduction software	AutoProcess
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.020	2.282
High resolution limit [Å]	2.270	2.270
Rmerge	0.104	1.109
Rmeas	0.111	1.187
Rpim	0.039	0.412
Number of reflections	21722	201
<I/σ(I)>	16.3
Completeness [%]	99.8	100
Redundancy	7.9	7.8
CC(1/2)	0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES, 2% v/v PEG 4000, 2.0 M ammonium sulfate