Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2008-05-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97935 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.590, 55.489, 324.101 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.790 - 2.100 |
R-factor | 0.203 |
Rwork | 0.199 |
R-free | 0.26800 |
RMSD bond length | 0.026 |
RMSD bond angle | 2.185 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.130 |
High resolution limit [Å] | 2.060 | 4.440 | 2.060 |
Rmerge | 0.068 | 0.041 | 0.723 |
Number of reflections | 54977 | ||
<I/σ(I)> | 24.9 | ||
Completeness [%] | 86.9 | 99.2 | 62.4 |
Redundancy | 5.4 | 6.1 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 300 | 10% PEG 4000, 0.1M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K |