7ESH
Crystal structure of amylosucrase from Calidithermus timidus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 105.750, 126.660, 294.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.070 - 2.290 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.22770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ucq |
RMSD bond length | 0.009 |
RMSD bond angle | 1.601 |
Data reduction software | HEK-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.070 | 2.372 |
High resolution limit [Å] | 2.290 | 2.290 |
Number of reflections | 172712 | 16638 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 96.9 | |
Redundancy | 7.8 | |
CC(1/2) | 0.988 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M ammonium acetate, 0.1 M Tris pH 8.0, and 16% w/v polyethylene glycol 10,000 |