8GTG
Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | PAL-XFEL BEAMLINE NCI |
| Synchrotron site | PAL-XFEL |
| Beamline | NCI |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2019-04-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.278 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.660, 70.650, 86.750 |
| Unit cell angles | 90.00, 97.82, 90.00 |
Refinement procedure
| Resolution | 44.110 - 2.750 |
| R-factor | 0.2363 |
| Rwork | 0.235 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k5y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.045 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.110 | 2.848 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 15559 | 1561 |
| <I/σ(I)> | 5.5 | 1.17 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 264.7 | 180.9 |
| CC(1/2) | 0.986 | 0.460 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 4.5 | 293 | 0.05M Na-Citrate(4.5), 0.06M NaCl 20~30% PEG 400(w/v) |
