7UON

CTX-M-14 Y105W mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-09-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00001
Spacegroup name	P 32 2 1
Unit cell lengths	41.430, 41.430, 230.641
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.320 - 1.350
R-factor	0.2087
Rwork	0.207
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.006
RMSD bond angle	0.848
Data reduction software	iMOSFLM (7.4.0)
Data scaling software	pointless (1.11.17)
Phasing software	PHASER (2.1.2)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.320	1.420
High resolution limit [Å]	1.350	1.350
Rmerge	0.066	0.553
Rmeas	0.069	0.580
Rpim		0.173
Number of reflections	51539	7337
<I/σ(I)>	17	3.4
Completeness [%]	99.1	98.1
Redundancy	12.3	10.8
CC(1/2)		0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	HEPES (0.1M), PEG 4,000 (25% w/v)