6MUQ

1.67 Angstrom Resolution Crystal Structure of Murein-DD-endopeptidase from Yersinia enterocolitica.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	55.201, 37.858, 59.577
Unit cell angles	90.00, 115.75, 90.00

Refinement procedure

Resolution	29.830 - 1.670
R-factor	0.17091
Rwork	0.169
R-free	0.20354
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6azi
RMSD bond length	0.006
RMSD bond angle	1.445
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.072	0.709
Rmeas	0.083	0.814
Rpim	0.039	0.395
Number of reflections	26136	1296
<I/σ(I)>	22.4	2
Completeness [%]	99.9	99.9
Redundancy	4.3	4.1
CC(1/2)		0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Protein: 7.5 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: PEG's II (D1), 0.1M Sodium acetate, 0.1M HEPES (pH 7.5), 22% (w/v) PEG 4000.