7R3Q

Crystal structure of CTX-M-15 G238C/A240 insert 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	44.475, 45.583, 117.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.950 - 1.460
R-factor	0.1595
Rwork	0.157
R-free	0.21190
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4hbt
RMSD bond length	0.009
RMSD bond angle	0.999
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.950	1.481
High resolution limit [Å]	1.456	1.456
Rpim	0.097	1.268
Number of reflections	42845	2124
<I/σ(I)>	6.1	0.7
Completeness [%]	100.0	100
Redundancy	13	13.5
CC(1/2)	0.996	0.419

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	0.1 M Tris pH 8, 2 M ammonium sulfate