5T99
Crystal structure of BuGH2Awt 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 21 21 21 |
| Unit cell lengths | 117.540, 120.780, 145.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.820 - 2.400 |
| R-factor | 0.1771 |
| Rwork | 0.175 |
| R-free | 0.21950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.303 |
| 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] | 92.820 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.188 | 0.787 |
| Number of reflections | 81323 | |
| <I/σ(I)> | 10.6 | 2.6 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 8.4 | 8.1 |
| CC(1/2) | 0.991 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium citrate dibasic, 20-22% PEG 3350 |
