6JMY

Structure of wild type closed form of peptidoglycan peptidase

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]	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	57.891, 57.891, 152.708
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.945 - 1.661
R-factor	0.1747
Rwork	0.173
R-free	0.20570
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.070	0.042	0.673
Rmeas	0.075	0.045	0.725
Rpim	0.028	0.016	0.268
Number of reflections	64957	2462	3746
<I/σ(I)>	6.2
Completeness [%]	85.4	64.4	99.9
Redundancy	7.1	7.3	7.1
CC(1/2)		0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	10% 2-propanol, 100mM citrate at pH 5.5, 20% PEG4000