6JN0

Structure of H247A mutant peptidoglycan peptidase complex with tetra-tri peptide

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	2017-12-23
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	114.796, 114.796, 55.621
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.136 - 2.164
R-factor	0.1628
Rwork	0.161
R-free	0.19920
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	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.057	0.041	0.328
Rmeas	0.073	0.053	0.428
Rpim	0.046	0.034	0.273
Number of reflections	22451	2681	2811
<I/σ(I)>	15.3
Completeness [%]	99.0	90.7	93.2
Redundancy	2.4	2.3	2.1
CC(1/2)		0.991	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	1.8 M ammonium citrate tribasic at pH 7.0