7E1D
Se-DBD
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 | 2017-11-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.814, 52.762, 97.397 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.349 - 2.002 |
R-factor | 0.173 |
Rwork | 0.169 |
R-free | 0.21210 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.856 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 21571 | 12504 |
<I/σ(I)> | 26.67 | |
Completeness [%] | 99.5 | |
Redundancy | 11 | |
CC(1/2) | 0.997 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaCl, 0.1 M HEPES pH 7.0, and 20% (W/V) PEG6000 |