5GLA

Crystal structure of the class A beta-lactamase PenL-tTR10 containing 10 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	2012-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	35.031, 92.551, 68.866
Unit cell angles	90.00, 92.61, 90.00

Refinement procedure

Resolution	32.242 - 1.500
R-factor	0.1707
Rwork	0.169
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gl9
RMSD bond length	0.006
RMSD bond angle	1.073
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	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.061	0.207
Number of reflections	69882
<I/σ(I)>	18.4	9.737
Completeness [%]	99.9	100
Redundancy	5.2	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	30% PEGMME 2000, 0.1M K-thiocyanate, 10% glycerol