6AHH
Crystal Structure of HEWL in complex with Phenylethyl alcohol (in the aroma form) after 5 hours under fibrillation conditions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.667, 78.667, 37.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.000 - 2.100 |
R-factor | 0.18124 |
Rwork | 0.178 |
R-free | 0.24628 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpx |
RMSD bond length | 0.017 |
RMSD bond angle | 1.805 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.160 | 0.370 |
Number of reflections | 7282 | 1037 |
<I/σ(I)> | 16.7 | |
Completeness [%] | 100.0 | |
Redundancy | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 2 M NaCl, 10% PEG 6000 |