9HMO
X-ray structure of the C-terminal domain (residues 366-485) of S. pombe threonylcarbamoyladenosine dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.450, 55.490, 69.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.17453 |
| Rwork | 0.173 |
| R-free | 0.21225 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.114 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.072 | 0.596 |
| Number of reflections | 12946 | 1906 |
| <I/σ(I)> | 15 | 4 |
| Completeness [%] | 98.1 | 96.5 |
| Redundancy | 4.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293.15 | 0.2 M NaCl, 0.1 M citrate pH 5.5, 1 M (NH4)2HPO4, final pH 7.6 |
