6AGN
Structure of HEWL co-crystallised with Cinnamaldehyde
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 | 2017-11-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.751, 78.751, 37.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.100 - 1.080 |
| R-factor | 0.16599 |
| Rwork | 0.165 |
| R-free | 0.19414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dpx |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.643 |
| 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] | 37.100 | 1.140 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.063 | 0.332 |
| Number of reflections | 50857 | 7284 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 1.5 M NaCl and 10% Ethanol |
