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 |