8C32
Dark state 2.2 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic 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 | 2021-07-23 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.730, 69.390, 204.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.390 - 2.200 |
R-factor | 0.18131 |
Rwork | 0.179 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8c31 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.855 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.400 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 46947 | 2304 |
<I/σ(I)> | 14 | 1.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.3 | 13.6 |
CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Condition B3 from Morpheus screen (Molecular Dimensions) (0.09 M halogens, 0.1 M buffer system 1 pH 6.5, 30% v/v precipitant mix 3 |