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 | 2005-10-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 54.002, 66.752, 70.287 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.000 - 1.743 |
R-factor | 0.181 |
Rwork | 0.177 |
R-free | 0.22790 |
Structure solution method | SAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.763 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.000 | 40.000 | 1.790 |
High resolution limit [Å] | 1.750 | 4.220 | 1.750 |
Rmerge | 0.173 | 0.108 | 0.704 |
Number of reflections | 25734 | ||
<I/σ(I)> | 6 | 1.84 | |
Completeness [%] | 96.9 | 99.8 | 77.7 |
Redundancy | 12 | 13 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 4% PEG 8000, PH 8.0, 20 mM HEPES buffer, 250 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K |