6AFO

Crystal structure of class A b-lactamase, PenL, variant Asn136Asp, from Burkholderia thailandensis

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	2012-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97954
Spacegroup name	P 1 21 1
Unit cell lengths	34.986, 92.723, 68.878
Unit cell angles	90.00, 92.72, 90.00

Refinement procedure

Resolution	31.772 - 1.399
R-factor	0.1487
Rwork	0.147
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gl9
RMSD bond length	0.014
RMSD bond angle	1.590
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.399	1.399
Rmerge	0.080	0.271
Number of reflections	86131	4254
<I/σ(I)>	40.23
Completeness [%]	99.0
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM sodium acetate pH 5.0 200 mM sodium chloride 25% (w/v) polyethylene glycol 3350