7RP8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-21
Detector	RAYONIX MX-225
Wavelength(s)	0.9787
Spacegroup name	P 41 21 2
Unit cell lengths	102.164, 102.164, 85.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.160 - 2.280
R-factor	0.1874
Rwork	0.185
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jc7
RMSD bond length	0.008
RMSD bond angle	1.670
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]	102.164	2.285
High resolution limit [Å]	2.278	2.278
Rmerge	0.091	0.617
Rmeas	0.097	0.658
Rpim	0.033	0.222
Total number of observations	171986
Number of reflections	20836	209
<I/σ(I)>	18
Completeness [%]	97.5	100
Redundancy	8.3	8.4

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