7OUP
Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-31 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.953730 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.337, 105.597, 64.861 |
Unit cell angles | 90.00, 93.65, 90.00 |
Refinement procedure
Resolution | 45.280 - 2.650 |
R-factor | 0.2 |
Rwork | 0.197 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t6b |
RMSD bond length | 0.003 |
RMSD bond angle | 0.588 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.300 | 2.750 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.117 | 0.704 |
Rmeas | 0.139 | 0.841 |
Rpim | 0.075 | 0.455 |
Number of reflections | 23086 | 2244 |
<I/σ(I)> | 8.03 | 1.56 |
Completeness [%] | 98.6 | 96.39 |
Redundancy | 3.3 | 3.2 |
CC(1/2) | 0.993 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 0.056 M sodium phosphate monobasic monohydrate, 1.344 M potassium phosphate dibasic monohydrate |