Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2007-08-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97960, 0.95370, 0.97980 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 85.188, 71.718, 43.323 |
Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
Resolution | 36.163 - 2.200 |
R-factor | 0.161 |
Rwork | 0.157 |
R-free | 0.22800 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.310 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.051 | 0.228 |
Number of reflections | 12695 | |
<I/σ(I)> | 46.3 | 5.1 |
Completeness [%] | 98.4 | 88.3 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 35% 2-methyl-2,4-pentanediol, 0.1 M Sodium acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |