Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | H 3 |
Unit cell lengths | 326.480, 326.480, 772.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 3.500 |
Rwork | 0.262 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Wild-type FHV coordinates |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | GLRF |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.560 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.117 | 0.588 |
Number of reflections | 311408 | |
<I/σ(I)> | 7.1 | 1.1 |
Completeness [%] | 80.6 | 69.5 |
Redundancy | 1.9 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 295 | 5-6% PEG 8K, 0.15M LITHIUM SULFATE, 0.1M HEPES AND 0.01M CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, temperature 295K |