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 | CCD |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0600 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 97.016, 97.016, 127.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.932 - 2.300 |
R-factor | 0.22461 |
Rwork | 0.223 |
R-free | 0.25780 |
Structure solution method | SAS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.153 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.03) |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.065 | 0.057 | 0.160 |
Total number of observations | 3337 | 1287 | |
Number of reflections | 28161 | ||
Completeness [%] | 89.2 | 99.8 | 41.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | modified microbatch | 7.9 | 313 | 1.2M sodium dihydrogen phosphate, 1.2M potassium dihydrogen sulfate, 0.1M TRIS, pH 7.9, modified microbatch, temperature 313K |