4OPY

Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	154.960, 47.070, 34.970
Unit cell angles	90.00, 93.17, 90.00

Refinement procedure

Resolution	77.360 - 1.750
R-factor	0.14224
Rwork	0.140
R-free	0.17797
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.265
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	77.360
High resolution limit [Å]	1.750
Number of reflections	24819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	9% (wt/vol) polyethylene glycol (PEG) 8000, 100 mM MES, and 200mM Ca(OAc)2, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K