6SXS
GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-01 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 111.136, 111.136, 342.742 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 84.059 - 1.859 |
| Rwork | 0.182 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wd3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.768 |
| Data reduction software | XDS (Mar 15, 2019) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.059 | 1.890 |
| High resolution limit [Å] | 1.859 | 1.860 |
| Rmerge | 0.128 | 5.320 |
| Rmeas | 0.133 | 5.540 |
| Rpim | 0.039 | 1.530 |
| Number of reflections | 68786 | 3411 |
| <I/σ(I)> | 10.2 | 0.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.1 | 12.8 |
| CC(1/2) | 0.999 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 2:1 protein:well solution. 0.1 M pH 4.5 sodium acetate buffer, 60% PEG400, 0.3 M (NH4)2SO4 |
