6RN6
DPP1 in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.8730 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 84.591, 84.591, 223.385 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.870 - 2.400 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k3b |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.500 | 2.420 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.099 | 0.763 |
Number of reflections | 36889 | 1786 |
<I/σ(I)> | 11.3 | 2.2 |
Completeness [%] | 99.5 | 95.6 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 0.996 | 0.704 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | PEG 3350, 0.2 M Ammoniumsulphate, 0.1 M sodium acetate |