9N0C
Crystal structure of Melanotaenia fluviatilis estrogen receptor alpha ligand binding domain complexed with Bisphenol BPBP
This is a non-PDB format compatible entry.
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 | 2023-09-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.361, 93.312, 61.113 |
| Unit cell angles | 90.00, 97.02, 90.00 |
Refinement procedure
| Resolution | 36.980 - 1.470 |
| R-factor | 0.2262 |
| Rwork | 0.224 |
| R-free | 0.26580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.028 |
| 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] | 39.820 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.063 | 1.669 |
| Rmeas | 0.068 | 1.821 |
| Rpim | 0.025 | 0.717 |
| Total number of observations | 579553 | 25034 |
| Number of reflections | 83252 | 4055 |
| <I/σ(I)> | 16.2 | 1.1 |
| Completeness [%] | 99.4 | |
| Redundancy | 7 | 6.2 |
| CC(1/2) | 1.000 | 0.482 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 20% PEG 3350, 0.2 M lithium citrate tribasic dihydrate |
