1N6E
tricorn protease in complex with a tridecapeptide chloromethyl ketone derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.470, 245.100, 157.890 |
| Unit cell angles | 90.00, 105.19, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.600 |
| R-factor | 0.254 |
| Rwork | 0.254 |
| R-free | 0.28800 |
| Structure solution method | direct refinement |
| Starting model (for MR) | 1k32 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.490 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.084 * | 0.305 * |
| Total number of observations | 645775 * | |
| Number of reflections | 209855 | |
| Completeness [%] | 97.7 | 85.1 |
| Redundancy | 3.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 290 | Isopropanol, MES, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | beta-mercaptoethanol | 2 (mM) | |
| 5 | 1 | reservoir | isopropanol | 12 (%) | |
| 6 | 1 | reservoir | MES | 100 (mM) | pH6.4 |
