8RMA

Structure of CTX-M-15 complexed with benzoxaborole AK-431

This is a non-PDB format compatible entry.

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	2023-11-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.66622
Spacegroup name	P 21 21 21
Unit cell lengths	44.700, 45.560, 117.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.030 - 0.830
R-factor	0.129
Rwork	0.129
R-free	0.13820
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.976
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.260	0.840
High resolution limit [Å]	0.830	0.830
Rpim	0.033	0.670
Number of reflections	225963	11207
<I/σ(I)>	9.4	0.4
Completeness [%]	99.6	99.6
Redundancy	13.3	12.2
CC(1/2)	0.999	0.342

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292.15	2.0 M ammonium sulphate, 0.1 M Tris 8.0