Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-25 |
Detector | SBC-2 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.317, 104.805, 59.854 |
Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
Resolution | 38.800 - 3.000 |
R-factor | 0.24 |
Rwork | 0.238 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3etw |
RMSD bond length | 0.010 |
RMSD bond angle | 1.097 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.800 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.097 | 0.426 |
Number of reflections | 13703 | |
<I/σ(I)> | 2.4 | |
Completeness [%] | 97.9 | 93.2 |
Redundancy | 3.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.1M Imidazole pH 7.5, and 0.5M sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |