3CCB
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Detector technology | CCD |
Collection date | 2003-08-08 |
Detector | ADSC |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 122.086, 123.010, 144.651 |
Unit cell angles | 90.00, 114.84, 90.00 |
Refinement procedure
Resolution | 32.800 - 2.490 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.24400 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.239 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.068 | 0.031 | 0.531 |
Number of reflections | 133909 | ||
<I/σ(I)> | 11.2 | ||
Completeness [%] | 98.9 | 95.5 | 99.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 22.5% PEG 2000mme, 0.1M Bicine, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |