8HYO
Crystal structure of AtHPPD-Y18031 complex
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 | 2019-10-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.06 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.483, 84.013, 66.070 |
| Unit cell angles | 90.00, 100.64, 90.00 |
Refinement procedure
| Resolution | 45.804 - 2.000 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.926 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | |
| Number of reflections | 27340 | 2501 |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 97.7 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.992 | 0.921 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 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 |
