8WR2
Crystal Structure of Human Pyridoxal Kinase with bound Luteolin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 94.540, 116.110, 169.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.480 - 1.940 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yxt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.962 |
| Data reduction software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.860 | 2.009 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.013 | |
| Rmeas | 0.018 | |
| Rpim | 0.013 | |
| Number of reflections | 68964 | 68956 |
| <I/σ(I)> | 24.45 | 2.09 |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.5 | 100 mM HEPES pH 7.0, 66% v/v MPD, and 3% w/v D-(+)-Thehalose dihydrate |
