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 |