4X2A
Crystal structure of mouse glyoxalase I complexed with baicalein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-19 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.501, 64.502, 63.152 |
| Unit cell angles | 90.00, 104.79, 90.00 |
Refinement procedure
| Resolution | 25.670 - 2.000 |
| R-factor | 0.1736 |
| Rwork | 0.171 |
| R-free | 0.21770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2za0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.371 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.670 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.045 |
| Number of reflections | 21801 |
| <I/σ(I)> | 17.8 |
| Completeness [%] | 99.6 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 289 | 30%-32% PEG 2000, 50mM MES, 0.1M NaCl, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
