6RNI
DPP1 in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-18 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.367, 87.461, 114.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.120 - 1.540 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k3b |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.630 | 1.620 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.080 | 0.966 |
Number of reflections | 58771 | 5147 |
<I/σ(I)> | 18.8 | 1.6 |
Completeness [%] | 90.0 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | PEG 3350, 0.2 M Ammonium sulphate, 0.1 M Sodium acetate |