3GIC
Structure of thrombin mutant delta(146-149e) in the free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90020 |
| Spacegroup name | P 43 |
| Unit cell lengths | 58.229, 58.229, 119.559 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.190 - 1.550 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 2GP9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.421 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.190 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.037 | 0.279 |
| Number of reflections | 54240 | |
| <I/σ(I)> | 27.728 | 2.3 |
| Completeness [%] | 94.3 | 76.1 |
| Redundancy | 4.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG 20000, 100 mM Tris buffer, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
