8X6A
Complex structure of AtHPPD with Y18992
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-10-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.869, 83.882, 62.008 |
| Unit cell angles | 90.00, 100.36, 90.00 |
Refinement procedure
| Resolution | 30.499 - 1.480 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.20660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.953 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.510 | 1.600 |
| High resolution limit [Å] | 1.480 | 1.500 |
| Rmerge | 1.700 | |
| Number of reflections | 63969 | 20948 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.82 | |
| CC(1/2) | 0.991 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 0.1M Tris/Bicine pH 8.5, 15% (v/v) MPD, 15% (w/v) PEG 1000, 15% (w/v) PEG 3350, 0.03M NaBr, 0.03M NaF, 0.03M NaI |
