Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.200, 69.100, 62.400 |
Unit cell angles | 90.00, 100.30, 90.00 |
Refinement procedure
Resolution | 33.500 - 2.200 |
R-factor | 0.197 |
Rwork | 0.194 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.027 |
RMSD bond angle | 2.171 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.400 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.070 | 0.270 |
Number of reflections | 17775 | |
<I/σ(I)> | 17.8 | 6.5 |
Completeness [%] | 96.0 | 91.4 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | pH 5.5 |