5ZQA

Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	200
Detector technology	PIXEL
Collection date	2014-01-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	37.669, 74.582, 74.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.291 - 1.550
R-factor	0.166
Rwork	0.165
R-free	0.18850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3it9
RMSD bond length	0.006
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1690)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.291	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.088	0.325
Rmeas	0.097
Number of reflections	30734	2508
<I/σ(I)>	22.6
Completeness [%]	97.8	81.09
Redundancy	5.8	3.6
CC(1/2)	0.997	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295.15	0.2M Potassium chloride, 20%(w/v) Polyethylene glycol 3,350