2ID4
The 1.9 A structure of Kex2 in complex with an Ac-R-E-R-K-chloromethyl ketone inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 112.851, 112.851, 370.165 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.790 - 1.900 |
| R-factor | 0.17853 |
| Rwork | 0.177 |
| R-free | 0.20604 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r64 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.139 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.061 | 0.046 | 0.354 |
| Number of reflections | 107215 | ||
| <I/σ(I)> | 15.1 | ||
| Completeness [%] | 96.7 | 98.5 | 70.7 |
| Redundancy | 14.2 | 19.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 2.4 M Ammonium Sulfate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
