7XSG
Crystal structure of ClAgl29B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.132, 123.405, 166.605 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.418 - 1.609 |
| Rwork | 0.172 |
| R-free | 0.18840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold2 model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.364 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.165 | 1.710 |
| High resolution limit [Å] | 1.609 | 1.610 |
| Rmeas | 0.069 | 0.459 |
| Number of reflections | 194275 | 30357 |
| <I/σ(I)> | 22.17 | 4.51 |
| Completeness [%] | 99.5 | 97 |
| Redundancy | 6.7 | 6.6 |
| CC(1/2) | 0.999 | 0.942 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 0.1 M sodium citrate (pH 3.5), 5% PEG 20,000, 5% 2-propanol |
