4D5M
Gonadotropin-releasing hormone agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.900, 27.470, 13.150 |
| Unit cell angles | 90.00, 98.83, 90.00 |
Refinement procedure
| Resolution | 41.950 - 0.850 |
| R-factor | 0.08038 |
| Rwork | 0.080 |
| R-free | 0.08739 |
| Structure solution method | DIRECT METHODS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.647 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.950 | 0.870 |
| High resolution limit [Å] | 0.850 | 0.850 |
| Rmerge | 0.070 | 0.200 |
| Number of reflections | 24802 | |
| <I/σ(I)> | 25.6 | 5.4 |
| Completeness [%] | 98.6 | 88 |
| Redundancy | 26.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 300 MM POTASSIUM PHOSPHATE BUFFER, PH 6.2 MIXED WITH 80 MG/ML TRIPTORELIN IN WATER. |
