5GLD

Crystal structure of the class A beta-lactamase PenL-tTR11 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	2013-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	70.269, 97.448, 34.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.222 - 1.700
R-factor	0.161
Rwork	0.159
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gl9
RMSD bond length	0.006
RMSD bond angle	1.124
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	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.093	0.351
Number of reflections	26638
<I/σ(I)>	16	9.532
Completeness [%]	99.9	100
Redundancy	7.8	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% PEGMME2000, 0.1M K-thiocyanate, 5% glycerol