2FJP
Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.132, 125.577, 137.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.198 |
| Rwork | 0.194 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n1m |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.460 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.373 |
| Number of reflections | 76287 | |
| <I/σ(I)> | 7.8 | 1.3 |
| Completeness [%] | 94.8 | 93.8 |
| Redundancy | 5.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | PEG4000, SODIUM ACETATE, TRIS, PH 8.0, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
