5EMI

N-acetylmuramoyl-L-alanine amidase AmiC2 of Nostoc punctiforme

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	2014-12-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	35.030, 62.760, 65.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.246 - 1.120
R-factor	0.1348
Rwork	0.134
R-free	0.14600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jwq
RMSD bond length	0.010
RMSD bond angle	1.492
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.150
High resolution limit [Å]	1.120	1.120
Number of reflections	52924
<I/σ(I)>	31.54	3.65
Completeness [%]	94.3	69.3
Redundancy	11.8	6.58
CC(1/2)	1.000	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1 microL of protein (3.7 mg/ml) was mixed with 1 microL of well solution containing 120 mM alcohols (mixture of 1,6-hexanediol, 1-butanol, 1,2-propanediol, 2-propanol, 1,4-butanediol, and 1,3-propanediol), 100 mM MES/imidazole at pH 6.5, and 37.5 % PEG1000/PEG3350/MPD