5JMU
The crystal structure of the catalytic domain of peptidoglycan N-acetylglucosamine deacetylase from Eubacterium rectale ATCC 33656
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.495, 60.323, 79.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.420 - 1.540 |
| R-factor | 0.157 |
| Rwork | 0.155 |
| R-free | 0.18850 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.482 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.420 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.131 | 0.850 |
| Number of reflections | 33862 | |
| <I/σ(I)> | 20.3 | 1.7 |
| Completeness [%] | 99.7 | 97.4 |
| Redundancy | 6.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1M Tris:HCl, 1.8M MgSO4 |
