5ZQB

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

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]	200
Detector technology	CCD
Collection date	2016-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	74.716, 98.900, 77.453
Unit cell angles	90.00, 104.30, 90.00

Refinement procedure

Resolution	29.894 - 1.896
R-factor	0.2015
Rwork	0.200
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqa
RMSD bond length	0.006
RMSD bond angle	0.840
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	1.965
High resolution limit [Å]	1.896	1.897
Rmerge	0.149	0.481
Rmeas	0.163	0.522
Rpim	0.064	0.202
Number of reflections	84701	8075
<I/σ(I)>	13.88	4.46
Completeness [%]	98.0	94
Redundancy	6.5	6.5
CC(1/2)	0.992	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.2M sodium formate, 20%(wt/vol) PEG 3350