7L74
Crystal structure of Beta-hexosyl transferase from Hamamotoa (Sporobolomyces) singularis bound to TRIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-24 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 196.319, 63.209, 105.006 |
| Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
| Resolution | 29.960 - 2.250 |
| R-factor | 0.1914 |
| Rwork | 0.189 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | raptorX structure prediction |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.941 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.970 | 29.950 | 2.370 |
| High resolution limit [Å] | 2.250 | 7.120 | 2.250 |
| Rmerge | 0.139 | 0.044 | 0.686 |
| Rmeas | 0.159 | 0.051 | 0.784 |
| Rpim | 0.076 | 0.026 | 0.377 |
| Total number of observations | 7348 | 34147 | |
| Number of reflections | 59376 | 1965 | 8293 |
| <I/σ(I)> | 9.8 | 24.1 | 2.5 |
| Completeness [%] | 98.4 | 97.5 | 94.8 |
| Redundancy | 4.1 | 3.7 | 4.1 |
| CC(1/2) | 0.992 | 0.995 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298.15 | Well: 30% PEG 4000, 0.1 M HEPES 7.5, 0.2 M CaCl2 Hanging Drop: 1:1 Protein:Well |
