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 | 2010-11-20 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.297, 131.178, 239.913 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.860 |
R-factor | 0.24711 |
Rwork | 0.245 |
R-free | 0.29015 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.043 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.126 | 0.633 |
Number of reflections | 48027 | |
<I/σ(I)> | 24.3 | 3.86 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.6 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 297 | 0.2 M SODIUM CITRATE, 20% PEG 3350, PH 6.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 297K |