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 | 2015-12-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.774, 104.782, 62.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.164 - 1.799 |
Rwork | 0.144 |
R-free | 0.17570 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.511 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.164 | 1.840 |
High resolution limit [Å] | 1.799 | 1.800 |
Rmerge | 0.080 | 0.470 |
Number of reflections | 48967 | 49315 |
<I/σ(I)> | 23.8 | |
Completeness [%] | 97.0 | |
Redundancy | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Disodium malonate 0.1 M, pH7.0 , PEG3350 18% |