9MDV
Apo form of the estrogen receptor alpha ligand binding domain of Melanotaenia fluviatilis
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 | PIXEL |
| Collection date | 2023-04-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.374, 94.507, 60.954 |
| Unit cell angles | 90.00, 96.86, 90.00 |
Refinement procedure
| Resolution | 37.240 - 2.000 |
| R-factor | 0.2432 |
| Rwork | 0.241 |
| R-free | 0.28650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.563 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.930 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.149 | 1.236 |
| Rmeas | 0.161 | 1.352 |
| Rpim | 0.062 | 0.538 |
| Total number of observations | 220701 | 14922 |
| Number of reflections | 33401 | 2439 |
| <I/σ(I)> | 8.5 | 1.5 |
| Completeness [%] | 99.0 | |
| Redundancy | 6.6 | 6.1 |
| CC(1/2) | 0.997 | 0.554 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M NaCl, 0.1 M PIPES pH 7, 22% PEG 2000 MME |
