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 |