8C31
Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition
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 | 2021-03-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.114, 69.705, 204.544 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.180 - 1.800 |
| R-factor | 0.17236 |
| Rwork | 0.170 |
| R-free | 0.20897 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c8a |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.991 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.180 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.086 | |
| Number of reflections | 84476 | 4123 |
| <I/σ(I)> | 16.7 | 1 |
| Completeness [%] | 96.7 | |
| Redundancy | 13.6 | |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | Condition B3 from Morpheus screen (Molecular Diensions) (0.09 M halogens, 0.1 M buffer system 1 pH 6.5, 30% v/v precipitant mix 3 |
