6JN8

Structure of H216A mutant open form 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	2018-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	113.202, 113.202, 54.465
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.300 - 2.106
R-factor	0.1834
Rwork	0.182
R-free	0.21340
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.097	0.052	0.774
Rmeas	0.103	0.055	0.812
Rpim	0.033	0.018	0.245
Number of reflections	45379	2203	2255
<I/σ(I)>	14.5
Completeness [%]	99.5	96.5	100
Redundancy	10.4	9.8	11
CC(1/2)		0.997	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	200 mM potassium sodium tartrate tetrahydrate, 100 mM sodium citrate tribasic dehydrate at pH 5.6, 2.0 M ammonium sulfate