6BZX
Structure of the artificial complex alpha-Rep/Octarellin V.1 crystallized by counter diffusion in a capillary
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2017-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.562, 41.108, 81.409 |
| Unit cell angles | 90.00, 106.57, 90.00 |
Refinement procedure
| Resolution | 38.941 - 3.107 |
| R-factor | 0.2511 |
| Rwork | 0.245 |
| R-free | 0.30360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zv6 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.523 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.140 | 3.290 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmeas | 0.108 | |
| Number of reflections | 8115 | |
| <I/σ(I)> | 25.42 | |
| Completeness [%] | 96.3 | |
| Redundancy | 3.7 | |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8 | 291 | HEPES 0.1 M, MgCl 0.2 M, PEG 400 25% |
