9KEH
human glyoxalase I (with C-ter His tag) in complex with licochalcone B and GSH, form 3
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-26 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.018 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.831, 65.883, 41.300 |
| Unit cell angles | 90.00, 101.04, 90.00 |
Refinement procedure
| Resolution | 19.596 - 1.720 |
| Rwork | 0.156 |
| R-free | 0.19260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.245 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.600 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.056 | 0.294 |
| Number of reflections | 38189 | 1800 |
| <I/σ(I)> | 24.5 | 3.3 |
| Completeness [%] | 99.1 | 95.1 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.935 | 0.896 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M Sodium chloride, 0.1 M Bis-Tris, 25%(w/v) PEG 3350 |
