9WVO
crystal structure of retro-aldolase RA95.5-8 mutant with a covalently bound cyclohexenone derivative
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.654, 68.989, 68.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.450 - 1.660 |
| R-factor | 0.17492 |
| Rwork | 0.174 |
| R-free | 0.20371 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.793 |
| Data reduction software | autoPX |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 35624 | 2630 |
| <I/σ(I)> | 50.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.48 | |
| CC(1/2) | 0.999 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 0.2 M ( NH4)2SO4, 0.1M MES pH6.5, 30% v/v PEG 5000 MME. |
