3EVJ
Intermediate structure of antithrombin bound to the natural pentasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.846, 87.055, 92.383 |
| Unit cell angles | 90.00, 106.18, 90.00 |
Refinement procedure
| Resolution | 63.240 - 3.000 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nq9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.250 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.116 | 0.523 |
| Number of reflections | 20068 | |
| <I/σ(I)> | 3 | 2.1 |
| Completeness [%] | 99.2 | 99.4 |
| Redundancy | 3.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 295 | 200mM NH4F, 20% PEG 3350, pH 7.0, EVAPORATION, temperature 295K |
