5VTH

CTX-M-14 P167S:E166A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 32 2 1
Unit cell lengths	41.690, 41.690, 233.052
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.690 - 2.200
R-factor	0.2221
Rwork	0.220
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.004
RMSD bond angle	0.605
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.690
High resolution limit [Å]	2.200	2.200
Rmerge	0.130	0.311
Rpim	0.069	0.150
Number of reflections	21502
<I/σ(I)>	6.56
Completeness [%]	95.3
Redundancy	2
CC(1/2)	0.993	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES pH6.5, 25% (w/v) PEG 4000