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 | 2006-09-06 |
Wavelength(s) | 1.0083 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.715, 74.172, 55.516 |
Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.510 |
Rwork | 0.206 |
R-free | 0.22900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.560 |
High resolution limit [Å] | 1.510 | 3.250 | 1.510 |
Rmerge | 0.112 | 0.037 | 0.724 |
Number of reflections | 48197 | ||
<I/σ(I)> | 6.2 | ||
Completeness [%] | 91.0 | 99.9 | 47.5 |
Redundancy | 6.4 | 7.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.4 | 292 | 0.1M cacodylate, 25% PEG5000MME, 0.2M ammonium sulfate, pH 7.4, VAPOR DIFFUSION, temperature 292K |