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 |
Collection date | 2005-08-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.98310 |
Spacegroup name | I 4 |
Unit cell lengths | 140.696, 140.696, 73.325 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.750 - 1.820 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.23600 |
Starting model (for MR) | 1rp0 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.443 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.890 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.045 | 0.256 |
Number of reflections | 63274 | |
<I/σ(I)> | 22.669 | 3.3 |
Completeness [%] | 98.5 | 94 |
Redundancy | 4.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.65-2.00 M Li2SO4, 100 mM HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 295K |