8BAT
Geobacter lovleyi NADAR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 39.279, 81.597, 86.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.468 - 2.300 |
| Rwork | 0.181 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold2 model |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.954 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.468 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.173 | 1.475 |
| Rmeas | 0.210 | 1.636 |
| Rpim | 0.087 | 0.699 |
| Number of reflections | 12984 | 1242 |
| <I/σ(I)> | 6.2 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 | 5.3 |
| CC(1/2) | 0.994 | 0.557 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.15 M Potassium thiocyanate, 0.1 M Tris pH 7.5, 18% (w/v) PEG 5000 MME |
