3EA6
Atomic resolution of crystal structure of SEK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.829, 53.652, 92.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 0.920 |
R-factor | 0.101 |
Rwork | 0.101 |
R-free | 0.12170 |
Structure solution method | phaser |
Starting model (for MR) | 1se3 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.950 |
High resolution limit [Å] | 0.920 | 0.920 |
Number of reflections | 140029 | |
<I/σ(I)> | 26.79 | 2.3 |
Completeness [%] | 86.2 | |
Redundancy | 9.5 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |