7Y3V
Crystal structure of CdpNPT in complex with harmane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-03 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.048000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.655, 157.237, 161.897 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.940 - 2.430 |
| R-factor | 0.2374 |
| Rwork | 0.217 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xvj |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.496 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.940 | 2.480 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.150 | 1.049 |
| Rmeas | 0.171 | 1.190 |
| Rpim | 0.081 | 0.557 |
| Number of reflections | 157188 | 4449 |
| <I/σ(I)> | 11.6 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.4 | 8.8 |
| CC(1/2) | 0.996 | 0.778 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium phosphate dibasic, 20% (w/v) PEG3350 |
