7D4S
apo-form 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 | 2020-07-08 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.316, 116.432, 107.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.500 - 1.930 |
| R-factor | 0.1541 |
| Rwork | 0.152 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 7D4O |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.897 |
| Phasing software | CNS |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.072 | 0.514 |
| Rpim | 0.030 | 0.205 |
| Number of reflections | 31398 | 3124 |
| <I/σ(I)> | 25.7 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.986 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 5 mM AMPcPP, 10 mM GTP, 10 mM MgCl2, 0.2 M Na-malonate, pH 6.0, and 20% w/v PEG 3350 |
