1T1F
Crystal Structure of Native Antithrombin in its Monomeric Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.870 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 153.830, 43.710, 153.930 |
| Unit cell angles | 90.00, 120.01, 90.00 |
Refinement procedure
| Resolution | 38.460 - 2.750 |
| Rwork | 0.225 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e04 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.430 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.520 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.112 | 0.512 |
| Number of reflections | 44274 | |
| <I/σ(I)> | 5.6 | 1.7 |
| Completeness [%] | 99.8 | 71.8 |
| Redundancy | 3.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | Sodium Iodide, PEG 3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
