2AGI
The leupeptin-trypsin covalent complex at 1.14 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.888, 63.562, 69.102 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.630 - 1.140 |
| R-factor | 0.117 |
| Rwork | 0.116 |
| R-free | 0.13800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2age |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.869 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.630 | 1.200 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.040 | 0.284 |
| Number of reflections | 88464 | |
| <I/σ(I)> | 13.1 | 1.5 |
| Completeness [%] | 99.6 | |
| Redundancy | 3.2 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | ammonium sulfate, bis-tris propane, calcium chloride, benzamidine, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
