6RTY
Crystal structure of the Patched ectodomain in complex with nanobody NB64
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.718, 65.873, 150.538 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.21771 |
| Rwork | 0.216 |
| R-free | 0.25498 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.453 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 150.540 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 | |
| Rpim | 0.027 | 0.696 |
| Number of reflections | 27821 | 1068 |
| <I/σ(I)> | 16.2 | 1.7 |
| Completeness [%] | 97.5 | 75.5 |
| Redundancy | 11.8 | 7.8 |
| CC(1/2) | 0.998 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES/imidazole pH 6.5, 0.02M of each amino acid (L-glutamate, alanine, glycine, lysine, serine), 12.5% (v/v) MPD, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350 |
