7ASS

OXA-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-MIC Selection Drives Cryptic Evolution of OXA-48

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	2019-11-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	88.555, 108.476, 125.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.560 - 1.910
R-factor	0.1894
Rwork	0.187
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5qb4
RMSD bond length	0.011
RMSD bond angle	1.028
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]	50.000	1.940
High resolution limit [Å]	1.910	1.910
Rmerge	0.165	1.870
Rpim	0.099	1.110
Number of reflections	94247	4653
<I/σ(I)>	9.6	1.1
Completeness [%]	100.0
Redundancy	7.1
CC(1/2)	0.997	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Tris, pH 9.0, 28-30% PEG mono ethylene ether 500