Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9805, 0.9919, 0.9809 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 26.550, 59.584, 159.473 |
Unit cell angles | 90.00, 91.56, 90.00 |
Refinement procedure
Resolution | 33.130 - 2.600 |
R-factor | 0.2622 |
Rwork | 0.260 |
R-free | 0.28770 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.614 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.6.0074) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.058 | 0.032 | 0.269 |
Number of reflections | 15096 | ||
<I/σ(I)> | 13 | 3.98 | |
Completeness [%] | 97.5 | 97.2 | 93.2 |
Redundancy | 3.6 | 3.9 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.2 | 298 | PEG MME 2K, pH 7.2, vapor diffusion, temperature 298K |