7R3R

Crystal structure of CTX-M-15 G238C mutant apoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.73379
Spacegroup name	P 21 21 21
Unit cell lengths	44.553, 45.653, 117.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.940 - 1.170
R-factor	0.1554
Rwork	0.154
R-free	0.18670
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4hbt
RMSD bond length	0.007
RMSD bond angle	1.014
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.940	1.190
High resolution limit [Å]	1.170	1.170
Rpim	0.069	0.802
Number of reflections	82118	3971
<I/σ(I)>	5.4	0.5
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.998	0.338

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	0.1 M Tris pH 8.0, 2.0 M ammonium sulphate