Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.392, 88.200, 70.936 |
Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
Resolution | 37.160 - 2.550 |
R-factor | 0.1853 |
Rwork | 0.183 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gg2 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.810 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MR-Rosetta |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.160 | 0.930 |
Number of reflections | 27596 | |
<I/σ(I)> | 10.6 | 1.74 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 297 | 0.1 M magnesium formate, 15% PEG 3350, pH 8.0, Temperature 297K |