5AZZ
Crystal structure of seleno-insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-20 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9780 |
Spacegroup name | I 21 3 |
Unit cell lengths | 77.994, 77.994, 77.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.000 - 1.450 |
R-factor | 0.1696 |
Rwork | 0.168 |
R-free | 0.19160 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.063 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.124 | 0.933 |
Number of reflections | 27239 | |
<I/σ(I)> | 11.4 | 2.6 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 11.4 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | Sodium chloride, ethylene imine polymer, citrate |