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. |