6SKP

OXA-10_IPM. 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	2017-10-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	94.933, 124.794, 48.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 1.891
R-factor	0.2175
Rwork	0.216
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s2o
RMSD bond length	0.013
RMSD bond angle	1.324
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]	45.190	1.960
High resolution limit [Å]	1.891	1.891
Rmerge	0.168	1.731
Number of reflections	580336	51160
<I/σ(I)>	12.33	1.14
Completeness [%]	99.0	92.44
Redundancy	4.8
CC(1/2)	0.997	0.553

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