Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 50.308, 63.606, 74.744 |
Unit cell angles | 81.83, 76.21, 77.73 |
Refinement procedure
Resolution | 72.170 - 1.600 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hhi |
RMSD bond length | 0.012 |
RMSD bond angle | 1.393 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.600 |
Number of reflections | 211504 | |
<I/σ(I)> | 14 | 1.25 |
Completeness [%] | 86.5 | 43 |
Redundancy | 2.1 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |