6ZGO
Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-05-29 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.114, 70.867, 72.606 |
| Unit cell angles | 90.00, 100.57, 90.00 |
Refinement procedure
| Resolution | 33.536 - 1.790 |
| R-factor | 0.1873 |
| Rwork | 0.185 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8d |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.410 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.490 | |
| Number of reflections | 32977 | 5253 |
| <I/σ(I)> | 11.72 | 2.42 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20mM sodium dihydrogen phosphate ph 7.5 350mM NaCl 27% PEG 8000 |
