Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2015-06-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97923 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.655, 37.019, 99.747 |
Unit cell angles | 90.00, 99.06, 90.00 |
Refinement procedure
Resolution | 34.820 - 1.900 |
R-factor | 0.1647 |
Rwork | 0.163 |
R-free | 0.19460 |
Structure solution method | SAD |
Starting model (for MR) | 4jgg |
RMSD bond length | 0.014 |
RMSD bond angle | 1.341 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3247) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.074 | 0.669 |
Number of reflections | 33196 | 3319 |
<I/σ(I)> | 16.81 | |
Completeness [%] | 98.0 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 10% PEG 8000, 250mM Calcium acetate, 100mM Imidazole, pH 8.5 |