Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2007-03-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.2824 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.439, 149.738, 122.118 |
Unit cell angles | 90.00, 110.61, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
Rwork | 0.219 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dkf |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.049 | 0.028 | 0.293 |
Number of reflections | 55276 | ||
<I/σ(I)> | 23.2 | ||
Completeness [%] | 93.6 | 99.5 | 99.6 |
Redundancy | 3.7 | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1.0M Ammonium Sulfate, 1%(w/v) Polyethylene Glycol 3350, 0.1M Bis-Tris, 4%(v/v) 2,2,2 Trifluoroethanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |