Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97923 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.110, 62.620, 124.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.640 - 1.490 |
R-factor | 0.17582 |
Rwork | 0.174 |
R-free | 0.20846 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.207 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.640 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.076 | 0.032 |
Number of reflections | 56717 | |
<I/σ(I)> | 43.8 | |
Completeness [%] | 98.9 | 94.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 298 | 20% PEG3350, 1M NaI, 0.1 M TrisHCl, pH 7.5, EVAPORATION, temperature 298K |