7DL3
The structure of 3,5-DAHDHcca complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97917 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.594, 122.037, 114.645 |
| Unit cell angles | 90.00, 94.85, 90.00 |
Refinement procedure
| Resolution | 47.719 - 1.846 |
| R-factor | 0.202232064989 |
| Rwork | 0.201 |
| R-free | 0.22894 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7dl7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.147 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.846 | 1.860 |
| Rmerge | 0.121 | 1.116 |
| Rpim | 0.503 | |
| Number of reflections | 126514 | 6293 |
| <I/σ(I)> | 17.273 | 2 |
| Completeness [%] | 99.2 | 99 |
| Redundancy | 6.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.0M LiCl, 0.1M Tris-HCl buffer (pH 7.5), 12% w/v PEG 6000 |
