Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.982, 78.506, 55.138 |
Unit cell angles | 90.00, 113.24, 90.00 |
Refinement procedure
Resolution | 39.674 - 2.002 |
R-factor | 0.2191 |
Rwork | 0.216 |
R-free | 0.28060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c2m |
RMSD bond length | 0.014 |
RMSD bond angle | 1.178 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.058 | 0.037 | 0.405 |
<I/σ(I)> | 13.6 | ||
Completeness [%] | 93.0 | 97.9 | 97.8 |
Redundancy | 3.5 | 3.5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 50mM Imidazole, 350mM NaCl, 17% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |