7D4J
ddATP complex of cyclic trinucleotide synthase CdnD
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 | 2020-05-20 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.173, 53.173, 345.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.370 - 2.090 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 7D48 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.750 |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.083 | 0.372 |
| Number of reflections | 30653 | |
| <I/σ(I)> | 25 | 3.4 |
| Completeness [%] | 99.1 | 96.7 |
| Redundancy | 9.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 2 mM ddATP, 10 mM GTP, 10 mM MgCl2, 0.2 M ammonium tartrate dibasic, pH 7.0, 26% w/v PEG 3350 |
