5I6Q
Crystal structure of color device state B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2013-08-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 67.643, 69.012, 69.265 |
Unit cell angles | 99.02, 96.63, 100.28 |
Refinement procedure
Resolution | 33.389 - 4.912 |
R-factor | 0.1555 |
Rwork | 0.148 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gbi |
RMSD bond length | 0.013 |
RMSD bond angle | 1.262 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10_2152)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 5.470 |
High resolution limit [Å] | 4.912 | 14.490 | 4.912 |
Rmerge | 0.068 | 0.051 | 0.539 |
Total number of observations | 14123 | ||
Number of reflections | 4712 | ||
<I/σ(I)> | 10.1 | ||
Completeness [%] | 97.0 | 87.5 | 84 |
Redundancy | 3.5 | 3.8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 30 mM sodium cacodylate, 50 mM magnesium acetate, 50 mM ammonium sulfate, 5 mM magnesium chloride and 25 mM Tris?HCl (pH 8.5) |