2B4X
Crystal Structure of Antithrombin-III
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 |
| Collection date | 2005-04-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.470, 98.670, 89.240 |
| Unit cell angles | 90.00, 105.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.800 |
| R-factor | 0.233 |
| Rwork | 0.228 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB Accession: 1OYH |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.070 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.065 | 0.508 |
| Number of reflections | 28263 | |
| <I/σ(I)> | 15.2 | 2.1 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 294 | PEG 4000, Sodium/Potassium Phosphate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
