3WF2
Crystal structure of human beta-galactosidase in complex with NBT-DGJ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-02-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.119, 116.260, 141.768 |
| Unit cell angles | 90.00, 92.41, 90.00 |
Refinement procedure
| Resolution | 25.980 - 2.300 |
| R-factor | 0.17789 |
| Rwork | 0.175 |
| R-free | 0.24047 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3thc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.803 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.171 | 0.763 |
| Number of reflections | 133461 | |
| <I/σ(I)> | 13.5 | 2.5 |
| Completeness [%] | 98.3 | 98.6 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PEG 3350, Ammonium sulfate, HEPES, pH 7.5, vapor diffusion, sittingdrop, temperature 277K |
