1N1M
Human Dipeptidyl Peptidase IV/CD26 in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 1999-10-07 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0266 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 119.234, 123.448, 131.315 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.500 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.26100 * |
Structure solution method | MAD |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.600 * |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.071 | 0.352 |
Number of reflections | 63399 | |
<I/σ(I)> | 15.5 | |
Completeness [%] | 93.7 | 64.8 |
Redundancy | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 8 | 293 | PEG4000, Sodium acetate, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | Vapor diffusion, sitting drop * | 8 | 293 | PEG4000, Sodium acetate, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | Vapor diffusion, sitting drop * | 8 | 293 | PEG4000, Sodium acetate, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 40 (mg/ml) | |
2 | 1 | drop | Tris | 20 (mM) | pH8.0 |
3 | 1 | drop | 25 (mM) | ||
4 | 1 | reservoir | sodium acetate | 0.3 (M) | |
5 | 1 | reservoir | PEG4000 | 17-18 (%(w/v)) | |
6 | 1 | reservoir | Tris | 0.1 (M) | pH8.0 |