7RG7
Crystal structure of nanoclamp8:VHH in complex with MTX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2020-07-01 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 0.95372 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.121, 95.882, 118.096 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.050 - 1.830 |
| R-factor | 0.15205 |
| Rwork | 0.149 |
| R-free | 0.20236 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qxv |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.049 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.050 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 27424 | 1597 |
| <I/σ(I)> | 16.7 | |
| Completeness [%] | 99.5 | 96.5 |
| Redundancy | 13.7 | 13.6 |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 15% (w/v) PEG 4000, 0.2 M DL-malate-imidazole pH 6.0, 0.1 M MgCl2 |
