9OU5
Crystal Structure of Salmonella FraB Deglycase, Crystal Form 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979310 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.574, 110.614, 115.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.897 - 1.669 |
| Rwork | 0.171 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.712 |
| Data reduction software | XDS (Feb 5, 2021 (BUILT 20210205)) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.900 | 1.828 |
| High resolution limit [Å] | 1.669 | 1.670 |
| Rmerge | 0.076 | 1.419 |
| Rpim | 0.022 | 0.442 |
| Number of reflections | 67143 | 3357 |
| <I/σ(I)> | 16.7 | 1.6 |
| Completeness [%] | 76.4 | |
| Redundancy | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 10-14% v/v PEG300, 0.1 M MES, pH 6.0-6.5 |
