6ET6

Crystal structure of muramidase from Acinetobacter baumannii AB 5075UW prophage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.8
Spacegroup name	P 2 21 21
Unit cell lengths	30.980, 67.000, 75.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.180 - 1.200
R-factor	0.1485
Rwork	0.147
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2anv
RMSD bond length	0.019
RMSD bond angle	1.901
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.180	50.180	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.113	0.042	0.929
Rmeas	0.126	0.046	1.039
Rpim	0.054	0.018	0.452
Number of reflections	46812	309	2300
<I/σ(I)>	5.6
Completeness [%]	94.1	84.5	94.6
Redundancy	5	5.5	5
CC(1/2)	0.994	0.998	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2M Li2SO4; 0.1M MES pH 6.5; 25% PEG3350