4EB1
Hyperstable in-frame insertion variant of antithrombin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.750, 101.750, 88.810 |
| Unit cell angles | 90.00, 105.42, 90.00 |
Refinement procedure
| Resolution | 61.400 - 2.800 |
| R-factor | 0.20053 |
| Rwork | 0.198 |
| R-free | 0.25455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e04 CHAIN L |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.625 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0098) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.400 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.073 | 0.553 |
| Number of reflections | 28324 | |
| <I/σ(I)> | 10.1 | 0.18 |
| Completeness [%] | 96.0 | 97.3 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 295 | 17.0% PEG4000, 50 mM sodium/potassium phosphate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
