3T6J
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 3.0 Angstroms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-31 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.81230 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.013, 107.274, 65.478 |
Unit cell angles | 90.00, 93.67, 90.00 |
Refinement procedure
Resolution | 19.600 - 2.976 |
R-factor | 0.2382 |
Rwork | 0.237 |
R-free | 0.26820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fvy |
RMSD bond length | 0.007 |
RMSD bond angle | 0.846 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 79.907 | 19.901 | 3.130 |
High resolution limit [Å] | 2.973 | 9.400 | 2.973 |
Rmerge | 0.011 | 0.245 | |
Rmeas | 0.015 | 0.315 | |
Rpim | 0.009 | 0.195 | |
Total number of observations | 1085 | 5056 | |
Number of reflections | 16399 | ||
<I/σ(I)> | 8.1 | 18.9 | 3 |
Completeness [%] | 96.6 | 84.1 | 92.4 |
Redundancy | 2.4 | 2.4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.2 | 293 | 0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic, pH 8.2, vapor diffusion, temperature 293K |