7VX3

OXA-58 crystal structure of acylated meropenem complex 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-05
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	75.290, 75.290, 119.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.620 - 1.800
R-factor	0.1694
Rwork	0.146
R-free	0.16290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vvi
RMSD bond length	0.004
RMSD bond angle	0.924
Data reduction software	iMOSFLM
Data scaling software	iMOSFLM
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.620	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	184659	17814
<I/σ(I)>	65.48
Completeness [%]	100.0	100
Redundancy	7.9	7.6
CC(1/2)	0.587	0.371

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M HEPES-Na (pH 7.5), 1.55 M LiSO4, NaCO3