6AEA
Crystal Structure of HEWL in complex with TEMED (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 | 79.460, 79.460, 36.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.190 - 1.400 |
R-factor | 0.16384 |
Rwork | 0.162 |
R-free | 0.19788 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpx |
RMSD bond length | 0.028 |
RMSD bond angle | 2.543 |
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] | 56.190 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.140 | |
Number of reflections | 23907 | |
<I/σ(I)> | 8.6 | |
Completeness [%] | 99.9 | |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 10% PEG 6000 and 2M NaCl |