8C35
Dark state 2.1 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
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 | 2021-09-11 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.924, 69.970, 204.555 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.190 - 2.100 |
| R-factor | 0.18763 |
| Rwork | 0.186 |
| R-free | 0.22269 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8c31 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.912 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.210 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 54612 | 4413 |
| <I/σ(I)> | 11.2 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | 12.7 |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293 | 0.1 M ammonium sulfate, 0.1 M sodium citrate pH 5.8, 16% w/v PEG 4000, 20% v/v glycerol |
