5GL9

Crystal structure of the class A beta-lactamase PenL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	75.933, 81.637, 36.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 1.500
R-factor	0.1647
Rwork	0.163
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylj
RMSD bond length	0.006
RMSD bond angle	1.057
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	0.054	0.125
Number of reflections	37054
<I/σ(I)>	18.4	35.682
Completeness [%]	98.7	97.2
Redundancy	14.4	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris pH 8.5, 0.1M Li-sulfate, 30%(w/v) PEG 4000, 15% glycerol