1Y3D
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 94.265, 94.265, 185.574 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 81.650 - 1.800 |
| R-factor | 0.14802 |
| Rwork | 0.147 |
| R-free | 0.17290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tm3 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.794 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 81.650 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 43515 |
| <I/σ(I)> | 20.8 |
| Completeness [%] | 99.7 |
| Redundancy | 18.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | sodium citrate, isopropanol, PEG monomethyl ether 750, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
