7BTK
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01
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 | 2020-01-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 249.832, 85.454, 243.307 |
| Unit cell angles | 90.00, 94.15, 90.00 |
Refinement procedure
| Resolution | 19.870 - 2.700 |
| R-factor | 0.2185 |
| Rwork | 0.218 |
| R-free | 0.23320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6kuz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.122 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.870 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.164 | 0.737 |
| Rmeas | 0.178 | 0.797 |
| Rpim | 0.068 | 0.423 |
| Number of reflections | 140397 | 6952 |
| <I/σ(I)> | 9.5 | 3.4 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 6.8 | 7.1 |
| CC(1/2) | 0.991 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 100 mM Bis-Tris, pH = 5.9, 200 mM NaCl, 200 mM MgCl2, 10% PEG8000, 10% glycerol, 0.1 M guanidine hydrochloride and 10 mM DTT |
