1OOJ
Structural genomics of Caenorhabditis elegans : Calmodulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-08-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.107 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.394, 23.997, 60.770 |
Unit cell angles | 90.00, 112.14, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.110 |
R-factor | 0.223 |
Rwork | 0.212 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cln |
RMSD bond length | 0.007 |
RMSD bond angle | 1.120 * |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.071 * | 0.202 * |
Total number of observations | 29757 * | |
Number of reflections | 8241 | |
<I/σ(I)> | 12 | 9.3 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 * | 295 | PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.0K, RESERVOIR: MPD, PEG3350, DIOXANE, 5 MM CACL2, 50 MM CITRATE, PH 5.7, PROTEIN STOCK: 5 MG/ML IN 5 MM CACL2, 5 MM CACODYLATE, PH 6, DROPS: 5 MICROLITERS OF PROTEIN STOCK SOLUTION, 5 MICROLITERS OF RESERVOIR. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | isopropanol | 20 (mM) | |
2 | 1 | drop | 5 (mM) | ||
3 | 1 | drop | sodium cacodylate | 5 (mM) | pH6. |
4 | 1 | drop | protein | 5 (mg/ml) | |
5 | 1 | reservoir | MPD | 50 (%(v/v)) | |
6 | 1 | reservoir | PEG3350 | 45 (%(w/v)) | |
7 | 1 | reservoir | dioxane | 12 (%(v/v)) | |
8 | 1 | reservoir | 5 (mM) | ||
9 | 1 | reservoir | sodium citrate | 50 (mM) | pH5.7 |