2UUJ
Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.049, 71.580, 72.052 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 35.780 - 1.320 |
| R-factor | 0.153 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uuf |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.031 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.780 | 1.390 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.080 | 0.360 |
| Number of reflections | 71295 | |
| <I/σ(I)> | 12.75 | 2.32 |
| Completeness [%] | 86.9 | 100 |
| Redundancy | 5.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | CRYSTALLIZATION CONDITIONS: CRYSTALS WERE GROWN BY MACROSEEDING A SOLUTION OF 100MM HEPES PH 7.0, 28% PEG4K, 500MM NACL. |
