4UA6

CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.61992
Spacegroup name	P 1 21 1
Unit cell lengths	45.106, 106.581, 47.716
Unit cell angles	90.00, 102.23, 90.00

Refinement procedure

Resolution	20.000 - 0.790
Rwork	0.110
R-free	0.11490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p74
RMSD bond length	0.015
RMSD bond angle	0.034
Data scaling software	HKL-2000
Refinement software	SHELXL

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	0.790
Rmerge	0.047
Number of reflections	473395
<I/σ(I)>	29.5
Completeness [%]	98.8
Redundancy	4.1

Crystallization Conditions

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