6BPF

CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980100
Spacegroup name	C 1 2 1
Unit cell lengths	95.590, 41.940, 56.360
Unit cell angles	90.00, 94.09, 90.00

Refinement procedure

Resolution	47.673 - 1.318
R-factor	0.1889
Rwork	0.188
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bfc
RMSD bond length	0.006
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.8.4_1496)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.673	1.400
High resolution limit [Å]	1.318	1.320
Rmerge	0.065	0.800
Rmeas	0.071	0.919
Number of reflections	52411	8155
<I/σ(I)>	14.32	1.32
Completeness [%]	99.2	96.1
Redundancy	6.44	5.68
CC(1/2)	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	21% PEG 8000, 0.1 M Hepes pH 7.8