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 | 2014-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 75.760, 75.760, 147.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.855 - 3.401 |
R-factor | 0.2346 |
Rwork | 0.232 |
R-free | 0.28770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4qxw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.908 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.880 | 3.720 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.245 | 0.499 |
Number of reflections | 6397 | |
<I/σ(I)> | 6.5 | 6.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.3 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM Tris 8.0, 25% PEG 3350, 12% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |