Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-16 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.282, 55.697, 68.713 |
Unit cell angles | 90.00, 94.92, 90.00 |
Refinement procedure
Resolution | 68.520 - 1.970 |
R-factor | 0.16923 |
Rwork | 0.168 |
R-free | 0.20280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.979 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.500 | 2.010 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.090 | 0.450 |
Number of reflections | 30411 | |
<I/σ(I)> | 17.6 | 2 |
Completeness [%] | 99.4 | 100 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 293 | 0.1M HEPES PH 7.0, 26% PEG3350, 0.2M (NH4)2SO4, 20C |