Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.99 |
Spacegroup name | I 2 3 |
Unit cell lengths | 560.120, 560.120, 560.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 5.200 |
R-factor | 0.461 |
Rwork | 0.461 |
R-free | 0.46700 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | RAVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 5.290 |
High resolution limit [Å] | 5.200 | 5.200 |
Rmerge | 0.080 | 0.261 |
Number of reflections | 86130 | |
<I/σ(I)> | 1.6 | |
Completeness [%] | 77.5 | 3.5 |
Redundancy | 2.9 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 4.0% PEG 4000, 0.2M sodium acetate pH 4.6, 0.3M calcium chloride, 15% glycerol, 0.1M sarcosine, 6% n-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |