Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926, 0.91837 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.157, 107.669, 68.522 |
Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
Resolution | 41.588 - 2.300 |
R-factor | 0.2141 |
Rwork | 0.212 |
R-free | 0.25290 |
Structure solution method | MAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.776 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.493 | 65.493 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.057 | 0.025 | 0.741 |
Number of reflections | 44375 | ||
<I/σ(I)> | 11.5 | ||
Completeness [%] | 99.4 | 99.3 | 98.7 |
Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 16% PEG3350, 12% isopropanol, 0.1 M phenol, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 16% PEG3350, 12% isopropanol, 0.1 M phenol, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |