1TO2
crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak
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 | 2002-07-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 93.671, 93.671, 185.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 81.650 - 1.300 |
| R-factor | 0.16856 |
| Rwork | 0.168 |
| R-free | 0.18335 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tm3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.915 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA) |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 81.650 |
| High resolution limit [Å] | 1.300 |
| Number of reflections | 109999 |
| <I/σ(I)> | 13.2 |
| Completeness [%] | 98.4 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | sodium citrate, isopropanol, PEG 4000, xylitol, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
