4IBX

Crystal structure of stabilized TEM-1 beta-lactamase variant v.13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-23
Detector	PSI PILATUS 6M
Wavelength(s)	0.97300
Spacegroup name	P 2 21 21
Unit cell lengths	39.900, 239.000, 159.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 2.680
R-factor	0.23394
Rwork	0.232
R-free	0.26529
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zg4
RMSD bond length	0.003
RMSD bond angle	0.699
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	80.000
High resolution limit [Å]	2.680
Number of reflections	43737
Completeness [%]	98.4

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 pH 6.2, and 200mM Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K