6SXU
GH51 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 I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | H 3 |
Unit cell lengths | 178.470, 178.470, 100.411 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.750 - 1.398 |
Rwork | 0.155 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pz3 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.996 |
Data reduction software | XDS (Aug. 8, 2018) |
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] | 29.750 | 1.430 |
High resolution limit [Å] | 1.398 | 1.400 |
Rmerge | 0.048 | 0.634 |
Number of reflections | 235395 | 17031 |
<I/σ(I)> | 18.7 | 2.3 |
Completeness [%] | 99.8 | 97.4 |
Redundancy | 6.2 | 6.1 |
CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2:1 protein:well solution. 0.1 M pH 7.5 Tris-HCl buffer, 18% PEG3350, 0.7 M NH4F, 5% 2-propanol |