2UUK
Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.346, 71.436, 72.116 |
| Unit cell angles | 90.00, 100.03, 90.00 |
Refinement procedure
| Resolution | 18.550 - 1.390 |
| R-factor | 0.118 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uuf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.550 | 1.460 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.070 | 0.340 |
| Number of reflections | 67018 | |
| <I/σ(I)> | 14.9 | 2.32 |
| Completeness [%] | 95.9 | 92.4 |
| Redundancy | 3.9 | 3.3 |
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. |
