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 |