9UBA
The structure of the AglA_K196R-Arg complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.910, 73.123, 75.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.380 - 1.470 |
| R-factor | 0.14814 |
| Rwork | 0.147 |
| R-free | 0.18266 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.938 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0431) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.386 | 1.510 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 45220 | 671 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 99.2 | |
| Redundancy | 10.2 | |
| CC(1/2) | 0.999 | 0.010 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.15 M KBr, 30%PEG MME550 |
