6RTW
Crystal structure of the Patched-1 (PTCH1) ectodomain in complex with nanobody NB64 and cholesterol-hemisuccinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.260, 65.720, 151.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.190 - 1.900 |
| R-factor | 0.18746 |
| Rwork | 0.185 |
| R-free | 0.22985 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rty |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.534 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.190 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.111 | |
| Rpim | 0.053 | 0.867 |
| Number of reflections | 37866 | 2618 |
| <I/σ(I)> | 9.1 | 0.8 |
| Completeness [%] | 99.4 | 94.9 |
| Redundancy | 5.2 | 4.2 |
| CC(1/2) | 0.998 | 0.360 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES/MOPS pH 7.5, 0.03 M of each halide (sodium fluoride, sodium bromide, sodium iodide), 12.5% (v/v) MPD, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350 |
