7U48

Clavulanic acid-CTX-M-15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-04-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	170.692, 50.976, 106.699
Unit cell angles	90.00, 113.23, 90.00

Refinement procedure

Resolution	49.020 - 1.670
R-factor	0.2511
Rwork	0.250
R-free	0.28530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hbt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.670	4.530	1.670
Rmerge	0.154	0.104	1.224
Rmeas	0.185	0.125	1.590
Rpim	0.101	0.069	1.002
Total number of observations	252076
Number of reflections	83707	5145	829
<I/σ(I)>	4.1
Completeness [%]	84.7	99.9	16.9
Redundancy	3	3.3	1.7
CC(1/2)		0.969	0.253

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	300 mM Ammonium sulfate, 30% PEG 4000