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 |