6SKR

OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	48.388, 94.776, 125.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.280 - 1.850
R-factor	0.181
Rwork	0.179
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s2o
RMSD bond length	0.011
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.890
High resolution limit [Å]	1.850	1.850
Rmeas	0.168	1.705
Number of reflections	50164	3035
<I/σ(I)>	8.5	1
Completeness [%]	99.9	99.8
Redundancy	7.4
CC(1/2)	0.996	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	11.8 mg/ml 20-23% PEG 3350 0.2 M magnesium formate