7A3F
Crystal structure of apo DPP9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 95.170, 95.310, 127.196 |
Unit cell angles | 86.56, 102.54, 102.44 |
Refinement procedure
Resolution | 46.890 - 2.900 |
R-factor | 0.2264 |
Rwork | 0.223 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eor |
RMSD bond length | 0.003 |
RMSD bond angle | 1.272 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.890 | 46.890 | 2.970 |
High resolution limit [Å] | 2.900 | 26.100 | 2.900 |
Rmerge | 0.087 | 0.020 | 0.491 |
Rmeas | 0.115 | 0.026 | 0.645 |
Total number of observations | 207713 | ||
Number of reflections | 92941 | 107 | 6869 |
<I/σ(I)> | 7.24 | 22.3 | 2.06 |
Completeness [%] | 98.4 | 82.3 | 98.1 |
Redundancy | 2.235 | 2.112 | 2.299 |
CC(1/2) | 0.991 | 0.999 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.08 M Na-Cacodilate pH 5.25, 0.16 M Ca-Acetate, 30 % Glycerol, 10 % PEG 8K |