Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 43.239, 58.626, 115.874 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.270 - 2.360 |
R-factor | 0.2474 |
Rwork | 0.246 |
R-free | 0.28090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2Y0Y |
RMSD bond length | 0.012 |
RMSD bond angle | 1.611 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.300 | 50.000 | 2.420 |
High resolution limit [Å] | 2.360 | 6.460 | 2.380 |
Rmerge | 0.098 | 0.068 | 0.587 |
Number of reflections | 5992 | ||
<I/σ(I)> | 10.2 | 2.02 | |
Completeness [%] | 95.2 | 78.4 | 88.3 |
Redundancy | 3.6 | 3.1 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 289 | 0.49 M sodium phosphate, 0.91 M di-potassium phosphate, pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 289K |