5T9G
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9753 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.230, 121.130, 124.459 |
| Unit cell angles | 70.63, 86.80, 78.77 |
Refinement procedure
| Resolution | 117.410 - 2.400 |
| R-factor | 0.2093 |
| Rwork | 0.207 |
| R-free | 0.25860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t9a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.292 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.410 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.142 | 0.638 |
| Number of reflections | 139311 | |
| <I/σ(I)> | 8.1 | 2 |
| Completeness [%] | 87.6 | 82.5 |
| Redundancy | 3.6 | 3.4 |
| CC(1/2) | 0.990 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium citrate, 20-24% PEG 3350 |
