7U70

Crystal Structure of CTX-M-14 with compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	45.250, 106.800, 47.730
Unit cell angles	90.00, 101.84, 90.00

Refinement procedure

Resolution	46.715 - 1.360
R-factor	0.1512
Rwork	0.151
R-free	0.17110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.715	46.715	1.430
High resolution limit [Å]	1.360	4.300	1.360
Rmerge		0.044	0.213
Rmeas	0.075	0.052	0.258
Rpim	0.040	0.027	0.142
Total number of observations	305381	10919	42330
Number of reflections	92146	3072	13316
<I/σ(I)>	11.4	22.5	4.9
Completeness [%]	97.2	100	96.5
Redundancy	3.3	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293	1.0 M potassium phosphate