6AD5
Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 24 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 | 78.939, 78.939, 36.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.820 - 1.750 |
| R-factor | 0.14002 |
| Rwork | 0.138 |
| R-free | 0.18043 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dpx |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.182 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.820 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.111 | |
| Number of reflections | 12277 | |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 99.8 | |
| Redundancy | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 0.1 M sodium acetate pH 4.6 and 2 M NaCl |
