2H9T
Crystal structure of human alpha-thrombin in complex with suramin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.438 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.966, 76.202, 113.848 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.030 - 2.400 |
| R-factor | 0.184 |
| Rwork | 0.180 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.059 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.030 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.180 | 0.549 |
| Total number of observations | 10982 | |
| Number of reflections | 15625 | |
| <I/σ(I)> | 4.1 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 100 mM tris, 25 % tert-butanol, 0.16 mM thrombin:suramin complex, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
