5YFB
Crystal structure of a new DPP III family member
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 207.208, 84.630, 90.220 |
Unit cell angles | 90.00, 108.46, 90.00 |
Refinement procedure
Resolution | 98.270 - 2.200 |
R-factor | 0.1903 |
Rwork | 0.187 |
R-free | 0.24840 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.827 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.9) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 98.270 | 98.270 | 2.250 |
High resolution limit [Å] | 2.200 | 11.000 | 2.200 |
Rmerge | 0.057 | 0.048 | 0.129 |
Rmeas | 0.062 | 0.052 | 0.140 |
Rpim | 0.024 | 0.019 | 0.053 |
Total number of observations | 472137 | ||
Number of reflections | 73866 | 650 | 4422 |
<I/σ(I)> | 14.6 | ||
Completeness [%] | 98.4 | 99.9 | 98.8 |
Redundancy | 6.4 | 6.6 | 6.6 |
CC(1/2) | 0.998 | 0.998 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 0.2 M Sodium formate pH 7.0, 20% PEG 3350 |