9WNH
E.coli beta-galactosidase in complex with fluorescent probe KSS1
This is a non-PDB format compatible entry.
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 | 2023-07-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 253.884, 85.281, 243.789 |
| Unit cell angles | 90.00, 93.64, 90.00 |
Refinement procedure
| Resolution | 243.299 - 3.400 |
| R-factor | 0.2739 |
| Rwork | 0.272 |
| R-free | 0.30490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.554 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 243.300 | 3.470 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.219 | 0.651 |
| Rmeas | 0.262 | 0.776 |
| Rpim | 0.143 | 0.418 |
| Number of reflections | 71867 | 4324 |
| <I/σ(I)> | 4.5 | 2 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.953 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | 100mM Bis-Tris, pH=5.9, 200mM NaCl, 200mM MgCl2, 12% PEG8000, 5% glycerol, 3% DMSO, 3% Ethylene glycol, 10mM DTT |
