2HIJ
Crystal Structure of P14 Alanine Variant of Antithrombin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-29 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.743, 98.627, 87.569 |
| Unit cell angles | 90.00, 101.40, 90.00 |
Refinement procedure
| Resolution | 51.570 - 2.900 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e04 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.360 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.570 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.111 | 0.538 |
| Number of reflections | 22751 | |
| <I/σ(I)> | 10.8 | 2.6 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.7 | 293 | 12.75% PEG, 50mM K/NaPO4, pH 6.70, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
