4G86
Crystal structure of the redox-active cofactor DBMIB bound to the full length circadian clock protein KaiA from Synechococcus elongatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-06-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.247, 126.354, 56.383 |
Unit cell angles | 90.00, 114.36, 90.00 |
Refinement procedure
Resolution | 47.582 - 2.387 |
R-factor | 0.221 |
Rwork | 0.219 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.999 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.510 | 2.420 |
High resolution limit [Å] | 2.380 | 2.470 | 2.380 |
Number of reflections | 23630 | ||
Completeness [%] | 97.9 | 98.4 | 68.5 |
Redundancy | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293.15 | 140-180mM Ammonium Sulfate reservoir solution, 20% Peg 8K, 15% glycerol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |