5GLB

Crystal structure of the class A beta-lactamase PenL-tTR10 in complex with CBA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	70.059, 92.881, 34.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.776 - 1.600
R-factor	0.1634
Rwork	0.162
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gl9
RMSD bond length	0.007
RMSD bond angle	1.213
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.072	0.315
Number of reflections	30982
<I/σ(I)>	12.8	9.714
Completeness [%]	100.0	100
Redundancy	9.3	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	30% PEGMME 2000, 0.1M K-thiocyanate, 15% glycerol