6KV1

Structure of wild type closed form of peptidoglycan peptidase ZN SAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	58.087, 58.087, 152.516
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.387 - 1.722
R-factor	0.2189
Rwork	0.217
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.750
High resolution limit [Å]	1.720	4.670	1.720
Rmerge	0.120	0.087	0.681
Rmeas	0.121	0.088	0.691
Rpim	0.020	0.015	0.113
Total number of observations	1141822
Number of reflections	32441	1781	1597
<I/σ(I)>	14.6
Completeness [%]	99.9	98.4	100
Redundancy	35.2	34.8	35.3
CC(1/2)		0.997	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	10% 2-propanol, 100 mM citrate at pH 5.5, and 20 % PEG4000