Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.90 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 84.670, 84.670, 58.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.630 - 1.300 |
R-factor | 0.1376 |
Rwork | 0.136 |
R-free | 0.16800 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.897 |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.630 | 1.400 | |
High resolution limit [Å] | 1.300 | 10.000 | 1.300 |
Rmerge | 0.038 | 0.012 | 0.012 |
Number of reflections | 59436 | 152 | 11723 |
<I/σ(I)> | 30.22 | 141.12 | 2.12 |
Completeness [%] | 99.9 | 93.8 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 0.1 mM Na+ acetate, 40% PEG 400, pH 4.0, vapor diffusion, hanging drop, temperature 293K |