5GLC

Crystal structure of the class A beta-lactamase PenL-tTR11 containing 20 residues insertion in omega-loop

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)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	69.486, 97.242, 34.004
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.717 - 1.601
R-factor	0.1611
Rwork	0.160
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gl9
RMSD bond length	0.007
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	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.074	0.332
Number of reflections	31195
<I/σ(I)>	15.5	12.263
Completeness [%]	99.9	100
Redundancy	14.2	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Tris pH 7.5, 30% PEGMME, 0.1M K-thiocyanate