7BH7

Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	294
Detector technology	PIXEL
Collection date	2019-05-09
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	45.258, 45.975, 119.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.520 - 1.650
R-factor	0.1634
Rwork	0.162
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qw8
RMSD bond length	0.011
RMSD bond angle	1.060
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.520	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	30691	1492
<I/σ(I)>	53.658
Completeness [%]	100.0	100
Redundancy	47.09
CC(1/2)	0.902	0.258

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	2.0 M ammonium sulphate, 0.1 M Tris 8.0