7X8D
Crystal structure of AtHPPD-phenylpyruvate 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 | 2021-12-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.06 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.969, 84.180, 62.075 |
| Unit cell angles | 90.00, 100.10, 90.00 |
Refinement procedure
| Resolution | 44.399 - 1.695 |
| R-factor | 0.1924 |
| Rwork | 0.191 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cqs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.822 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.695 | 1.700 |
| Rmerge | 0.062 | 0.423 |
| Number of reflections | 42939 | 2129 |
| <I/σ(I)> | 21.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.996 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 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 |
