5ZQC

Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Ampicillin 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	2016-07-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	74.884, 98.850, 77.441
Unit cell angles	90.00, 104.21, 90.00

Refinement procedure

Resolution	30.004 - 1.702
R-factor	0.2233
Rwork	0.223
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqa
RMSD bond length	0.006
RMSD bond angle	0.838
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]	30.004	1.763
High resolution limit [Å]	1.702	1.702
Rmerge	0.108	0.270
Rmeas	0.121	0.327
Rpim	0.053	0.180
Number of reflections	110772	10025
<I/σ(I)>	12.72	2.58
Completeness [%]	93.0	84
Redundancy	3.8	2.5
CC(1/2)	0.994	0.766

Crystallization Conditions

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