6RNE
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 | 2012-10-09 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.542, 87.740, 114.551 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.280 - 1.650 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k3b |
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] | 28.300 | 1.730 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.053 | 0.481 |
Number of reflections | 53715 | 7719 |
<I/σ(I)> | 28.3 | |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 6.9 | 6.1 |
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 |