3T6B
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 2.4 Angstroms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9789 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.970, 107.550, 119.100 |
Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
Resolution | 54.709 - 2.400 |
R-factor | 0.1999 |
Rwork | 0.197 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fvy |
RMSD bond length | 0.004 |
RMSD bond angle | 0.869 |
Data reduction software | MOSFLM |
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] | 119.092 | 54.709 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.061 | 0.391 | |
Rmeas | 0.076 | 0.495 | |
Rpim | 0.043 | 0.300 | |
Total number of observations | 4422 | 20656 | |
Number of reflections | 55412 | ||
<I/σ(I)> | 5.7 | 9.7 | 2.8 |
Completeness [%] | 91.2 | 83.7 | 94.1 |
Redundancy | 2.5 | 2.7 | 2.5 |
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 |