3QBJ
Crystal structure of dipeptidyl peptidase IV in complex with 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 | 2005-06-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.751, 69.082, 424.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.110 - 2.210 |
R-factor | 0.2034 |
Rwork | 0.202 |
R-free | 0.23550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data scaling software | SCALA (3.2.5) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.409 | 42.409 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.101 | 0.054 | 0.392 |
Number of reflections | 79656 | ||
<I/σ(I)> | 14.7 | 11.8 | 1.8 |
Completeness [%] | 80.3 | 68.7 | 55.5 |
Redundancy | 5.6 | 4.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |