Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.734, 69.187, 90.569 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.480 - 1.670 |
R-factor | 0.13048 |
Rwork | 0.129 |
R-free | 0.16057 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cel |
RMSD bond length | 0.011 |
RMSD bond angle | 1.483 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 45.300 |
High resolution limit [Å] | 1.670 |
Rmerge | 0.090 |
Number of reflections | 42070 |
<I/σ(I)> | 24.4 |
Completeness [%] | 99.8 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 25% PEG 4000 AND 5 MM CACL2 |