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 |