6JMX

Structure of open 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 61
Unit cell lengths	114.519, 114.519, 57.908
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.710 - 1.859
R-factor	0.1737
Rwork	0.172
R-free	0.19880
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	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.069	0.043	0.722
Rmeas	0.074	0.047	0.778
Rpim	0.027	0.017	0.288
Number of reflections	85298	4269	4259
<I/σ(I)>	7.2
Completeness [%]	100.0	100	100
Redundancy	7.1	7.4	7.2
CC(1/2)		0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	200mM potassium sodium tartrate, 100mM tri-sodium citrate at pH 5.6, 2M ammonium sulfate