7D4O
cyclic trinucleotide synthase CdnD in complex with ATP and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-06-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.773, 107.182, 65.875 |
| Unit cell angles | 90.00, 118.29, 90.00 |
Refinement procedure
| Resolution | 29.000 - 1.870 |
| R-factor | 0.1365 |
| Rwork | 0.136 |
| R-free | 0.16320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 7D48 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.216 |
| Phasing software | CNS |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.043 | 0.154 |
| Rpim | 0.026 | 0.093 |
| Number of reflections | 66128 | 6346 |
| <I/σ(I)> | 29 | 8.5 |
| Completeness [%] | 99.5 | 95.2 |
| Redundancy | 3.8 | 3.7 |
| CC(1/2) | 0.992 | 0.974 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 5 mM ATP, 10 mM GTP and 10 mM MgCl2, 0.2 M ammonium sulfate, 0.1 M Na-acetate, pH 4.6, 25% w/v PEG 4000 |
