9KOZ
Crystal structure of Arabidopsis thaliana HPPD complexed with iptriazopyrid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2023-12-22 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.025 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.160, 96.040, 97.820 |
| Unit cell angles | 90.00, 92.81, 90.00 |
Refinement procedure
| Resolution | 48.022 - 2.150 |
| Rwork | 0.211 |
| R-free | 0.26620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sp9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.240 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.239 | 2.988 |
| Number of reflections | 96459 | 15372 |
| <I/σ(I)> | 6.14 | 0.6 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 6.69 | 5.63 |
| CC(1/2) | 0.991 | 0.421 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium citrate (pH 5.0), 32 or 28 vol% polyethylene glycol (PEG) 400, and 15 or 10 vol% 2-propanol 2 mM iptriazopyrid and 2 mM CoCl2 |
