7EE4
Crystal structure of Neu5Ac bound PltC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-06-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | H 3 |
| Unit cell lengths | 189.447, 189.447, 41.526 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.180 - 1.400 |
| R-factor | 0.152 |
| Rwork | 0.151 |
| R-free | 0.17180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wht |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.748 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.180 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmeas | 0.070 | 0.382 |
| Number of reflections | 109189 | 10912 |
| <I/σ(I)> | 43.53 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.5 | 3.4 |
| CC(1/2) | 0.995 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 34% PEG500MME and 0.1M sodium citrate |
