7XVH
Crystal structure of AtHPPD-Y13287 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 | 2021-09-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.06 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.620, 83.890, 61.220 |
| Unit cell angles | 90.00, 100.30, 90.00 |
Refinement procedure
| Resolution | 37.693 - 1.830 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.22820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7x6n |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.864 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.000 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.051 | 0.905 |
| Number of reflections | 33278 | 2439 |
| <I/σ(I)> | 16.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.6 | 6.9 |
| CC(1/2) | 0.998 | 0.822 |
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 |
