6SKQ

OXA-655_MEM. Structural insights into the enhanced carbapenemase 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	2018-02-18
Detector	PSI PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	68.137, 82.437, 99.004
Unit cell angles	90.00, 97.01, 90.00

Refinement procedure

Resolution	24.050 - 2.100
R-factor	0.1815
Rwork	0.179
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s2o
RMSD bond length	0.007
RMSD bond angle	0.751
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	2.150
High resolution limit [Å]	2.100	2.100
Rmeas	0.185	0.824
Number of reflections	61827	4483
<I/σ(I)>	5.8
Completeness [%]	94.9
Redundancy	5.8
CC(1/2)	0.979	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	6.8 mg/mL, 20-23% PEG 3350 0.2 M LiSO4