5JAW
Structure of a beta galactosidase with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 99.168, 115.660, 115.935 |
| Unit cell angles | 90.15, 90.11, 90.11 |
Refinement procedure
| Resolution | 81.990 - 1.600 |
| R-factor | 0.19777 |
| Rwork | 0.197 |
| R-free | 0.21403 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d1i |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.927 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.990 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.588 |
| Number of reflections | 650665 | |
| <I/σ(I)> | 6 | 1.2 |
| Completeness [%] | 95.7 | 94.1 |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.979 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 291 | 2.7 M Na acetate pH 7.2 |
