5YFD
Crystal structure of a new DPP III family member
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.460, 207.140, 58.990 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 58.990 - 1.760 |
R-factor | 0.1819 |
Rwork | 0.180 |
R-free | 0.21710 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.954 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.050 | 69.050 | 1.790 |
High resolution limit [Å] | 1.760 | 9.660 | 1.760 |
Rmerge | 0.053 | 0.034 | 0.097 |
Rmeas | 0.059 | 0.039 | 0.108 |
Rpim | 0.025 | 0.018 | 0.046 |
Total number of observations | 695574 | ||
Number of reflections | 126351 | 763 | 6310 |
<I/σ(I)> | 23.6 | ||
Completeness [%] | 92.3 | 88.3 | 93.1 |
Redundancy | 5.5 | 4.8 | 5.4 |
CC(1/2) | 0.995 | 0.996 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 0.1 M Tris-HCl pH 8.5, 2.5 M Ammonium Sulfate |