9DGX

Monoclinic form of autolysin amidase AmiE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-05-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	45.470, 58.180, 98.280
Unit cell angles	90.00, 95.30, 90.00

Refinement procedure

Resolution	19.572 - 1.691
R-factor	0.1376
Rwork	0.137
R-free	0.16560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.840
Data reduction software	XDS (20180409)
Data scaling software	XDS (20180409)
Phasing software	PHENIX (1.13_2998-0000)
Refinement software	PHENIX (1.13_2998-0000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.600	19.600	1.730
High resolution limit [Å]	1.690	7.560	1.690
Rmerge	0.041	0.020	0.159
Rmeas	0.047	0.023	0.203
Rpim	0.016
Number of reflections	109018	1179	5907
<I/σ(I)>	24.16
Completeness [%]	97.1
Redundancy	8.1
CC(1/2)	0.999	1.000	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	293	15% w/v PEG 20K, 0.1 M sodium acetate