3GWR
Crystal structure of Putative calcium/calmodulin-dependent protein kinase type II association domain (YP_315894.1) from THIOBACILLUS DENITRIFICANS ATCC 25259 at 2.00 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-17 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97966,0.97951 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.445, 89.655, 90.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.892 - 2.010 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.21100 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.588 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.892 | 28.892 | 2.070 |
High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
Rmerge | 0.073 | 0.023 | 0.586 |
Number of reflections | 22722 | 4119 | 3711 |
<I/σ(I)> | 9.23 | 30.8 | 1.4 |
Completeness [%] | 94.4 | 92.8 | 85.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 0.2000M NH4F, 20.0000% PEG-3350, No Buffer pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |