1OT5
The 2.4 Angstrom Crystal Structure of Kex2 in complex with a peptidyl-boronic acid inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-15 |
| Detector | SBC-2 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 113.844, 113.844, 370.218 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 2.400 |
| R-factor | 0.218 |
| Rwork | 0.209 |
| R-free | 0.24500 |
| Structure solution method | SIR |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.480 |
| Number of reflections | 55847 | |
| <I/σ(I)> | 20.6 | 2 |
| Completeness [%] | 98.4 | 85.2 |
| Redundancy | 14.2 | 2.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 25 * | ammonium sulfate, DMSO, Bis-Tris, Ca Cl2, NaCl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | drop | Bis-Tris | 40 (mM) | pH7.2 |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | 2 (mM) | ||
| 5 | 1 | reservoir | ammonium sulfate | 2.1 (M) | |
| 6 | 1 | reservoir | DMSO | 3 (%) |
