8I34
The crystal structure of EPD-BCP1 from a marine sponge
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.749, 101.380, 112.588 |
| Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
| Resolution | 75.320 - 2.440 |
| Rwork | 0.202 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.403 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.320 | 2.500 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.104 | 0.584 |
| Rmeas | 0.125 | 0.702 |
| Rpim | 0.068 | 0.385 |
| Number of reflections | 61509 | 4535 |
| <I/σ(I)> | 7 | 1.8 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.981 | 0.746 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 2-Amino-2-(hydroxymethyl)propane-1,3-diol, magnesium chloride, polyethylene glycol 8000 |
