2P8S
Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-22 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 118.139, 126.174, 137.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.189 |
Rwork | 0.186 |
R-free | 0.22700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1x70 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.430 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.090 | 0.493 |
Number of reflections | 103521 | |
<I/σ(I)> | 7.4 | 1.5 |
Completeness [%] | 98.8 | 95.9 |
Redundancy | 7.04 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG 4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K |