1W7Z
Crystal structure of the free (uncomplexed) Ecballium elaterium trypsin inhibitor (EETI-II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-05-16 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.160, 82.340, 62.930 |
| Unit cell angles | 90.00, 118.80, 90.00 |
Refinement procedure
| Resolution | 55.130 - 1.670 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h9h |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.814 |
| Data reduction software | DENZO |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.130 | 1.800 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.070 | 0.430 |
| Number of reflections | 35516 | |
| <I/σ(I)> | 14 | 3 |
| Completeness [%] | 96.0 | 99 |
| Redundancy | 4.4 | 3.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2M NA-FORMATE 0.1 M NA-ACETATE PH 4.6 |
