3W4Q

Crystal structure of PenA beta-lactamase from Burkholderia multivorans at pH4.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-10
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	121.017, 69.910, 84.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.200
R-factor	0.1322
Rwork	0.132
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	the structure of PenI at pH9.5(now diposited together with this)
RMSD bond length	0.013
RMSD bond angle	0.031
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.200
Rmerge	0.039
Number of reflections	208965
<I/σ(I)>	31.6
Completeness [%]	95.5
Redundancy	4.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	20% PEG8000, 0.1M phosphate/citrate, 0.2M sodium chloride, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K