7AGO

crystal structure of the N-acetylmuramyl-L-alanine amidase, Ami1, from Mycobacterium abscessus bound to L-Alanine-D-isoglutamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	85.740, 85.740, 75.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.300 - 1.700
R-factor	0.1639
Rwork	0.162
R-free	0.18690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7agl
RMSD bond length	0.005
RMSD bond angle	0.768
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15rc3_3435)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmeas	0.120	0.960
Number of reflections	31543	8799
<I/σ(I)>	3.7
Completeness [%]	99.8
Redundancy	26.1
CC(1/2)	0.990	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Bis-Tris pH 5.5, 1.6 M ammonium sulfate, 1% (w/v) PEG 3350