5C6L
Crystal Structure of Gadolinium derivative of HEWL solved using intense Free-Electron Laser radiation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 291 |
| Detector technology | PIXEL |
| Collection date | 2013-11-21 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.463 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.200, 79.200, 39.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.300 - 2.100 |
| R-factor | 0.2217 |
| Rwork | 0.219 |
| R-free | 0.28010 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.066 |
| Data reduction software | CrystFEL |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 56.000 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 7728 |
| <I/σ(I)> | 23.6 |
| Completeness [%] | 100.0 |
| Redundancy | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 20 % NaCl, 6 % PEG 6000, 1 M Na acetate pH 3.0, stored in 8% NaCl, 0.1 M sodium acetate buffer, pH 4.0, soaked in storage solution + 100 mM gadoteridol, batch, temperature 293K |
