Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 208.970, 447.240, 617.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.979 - 3.100 |
R-factor | 0.2178 |
Rwork | 0.216 |
R-free | 0.25830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2WDG and 2WDI |
RMSD bond length | 0.014 |
RMSD bond angle | 1.481 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.985 | 49.985 | 3.180 |
High resolution limit [Å] | 3.100 | 13.860 | 3.100 |
Rmerge | 0.228 | 0.012 | 0.012 |
Number of reflections | 1002309 | ||
<I/σ(I)> | 6.01 | 24.63 | 1.01 |
Completeness [%] | 96.8 | 97.2 | 92.5 |
Redundancy | 5.06 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.6 | 292 | 0.1-0.2M Arginine-HCl, 0.1M Tris-HCl pH 7.6, 2.5% PEG-20K, 7-12% MPD, 0.5mM BME, VAPOR DIFFUSION, temperature 292K |