6JMZ

Structure of H247A mutant open form peptidoglycan peptidase

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	114.251, 114.251, 55.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.825 - 1.920
R-factor	0.1723
Rwork	0.171
R-free	0.19680
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	1.950
High resolution limit [Å]	1.920	5.210	1.920
Rmerge	0.119	0.075	0.849
Number of reflections	60451	2907	2985
<I/σ(I)>	13.9
Completeness [%]	98.5	94.3	98.2
Redundancy	10.8	10.3	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	100mM sodium citrate tribasic dihydrate at pH 4.5, 200mM potassium sodium tartrate tetrahydrate, 2.0M ammonium sulfate