9TO5

Room temperature serial crystal structure of CTX-M-15 class A beta-lactamase uncomplexed resting state from Diamond Light Source

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-10-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	45.196, 45.697, 118.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.180 - 1.730
R-factor	0.1594
Rwork	0.158
R-free	0.18860
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.044
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]	59.180	1.760
High resolution limit [Å]	1.730	1.730
Number of reflections	26359	1287
<I/σ(I)>	3.547	1.341
Completeness [%]	100.0
Redundancy	34.42
CC(1/2)	0.956	0.594

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, with crystal seed