3Q8W
A b-aminoacyl containing thiazolidine derivative and DPPIV complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2007-01-31 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.412, 124.501, 133.119 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.470 - 3.640 |
| R-factor | 0.282 |
| Rwork | 0.282 |
| R-free | 0.32400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.730 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.236 | |
| Number of reflections | 20014 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 89.1 | 89.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.1 M Tris pH 8.0, 22 % (w/v) PEG 4000, 0.3M NaAcetate , VAPOR DIFFUSION, HANGING DROP, temperature 295K |
