7Q0Y

Crystal structure of CTX-M-14 in complex with Bortezomib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	41.303, 62.331, 86.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.120 - 1.300
R-factor	0.1284
Rwork	0.128
R-free	0.14390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gth
RMSD bond length	0.010
RMSD bond angle	1.224
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.460	1.350
High resolution limit [Å]	1.300	1.300
Rmeas	0.073	0.527
Number of reflections	55064	38038
<I/σ(I)>	16.89	3.59
Completeness [%]	99.0	93
Redundancy	7.1
CC(1/2)	1.000	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	30 % PEG8000, 0.2 M lithium sulfate, 0.1 M sodium acetate