5ZQD

Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Cefotaxime 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	2016-07-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	74.858, 98.719, 154.576
Unit cell angles	90.00, 103.89, 90.00

Refinement procedure

Resolution	29.867 - 1.888
R-factor	0.1961
Rwork	0.195
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqa
RMSD bond length	0.006
RMSD bond angle	0.843
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]	29.870	1.956
High resolution limit [Å]	1.888	1.888
Rmerge	0.181	0.585
Rmeas	0.197	0.633
Rpim	0.075	0.240
Number of reflections	170527	15963
<I/σ(I)>	5.45	2.05
Completeness [%]	97.4	91.8
Redundancy	6.6	6.7
CC(1/2)	0.992	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.1M Tris-HCl (pH 8.0), 25%(wt/vol) PEG 3350, 0.2M sodium chloride