Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9744 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 219.901, 219.901, 219.901 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.870 - 2.150 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.21660 |
Structure solution method | SAD |
RMSD bond length | 0.001 |
RMSD bond angle | 0.416 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.18rc4_3812) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.079 | 0.764 |
Number of reflections | 25312 | 1238 |
<I/σ(I)> | 33.64 | 3.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 297 | 20 % PEG 3350, 0.2 M Magnesium Formate, pH 5.9 |