1QIW
Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-propylenediamine (DPD)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-04-15 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.960, 56.200, 35.270 |
| Unit cell angles | 99.52, 114.47, 96.86 |
Refinement procedure
| Resolution | 54.230 - 2.300 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.31700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lin |
| RMSD bond length | 0.005 |
| RMSD bond angle | 25.250 * |
| Data reduction software | bioteX |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.230 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.137 | 0.705 |
| Number of reflections | 8711 | |
| <I/σ(I)> | 2.1 | 1.3 |
| Completeness [%] | 69.2 | 25.3 |
| Redundancy | 1.7 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | PROTEIN WAS CRYSTALLIZED BY HANGING DROP TECHNIQUE. 50 MM PH=6.0 SODIUM CACODYLATE/HCL BUFFER, 10 MM MGCL2, 10 MM CACL2, 2MM DPD AND 30% PEG 8000 THE CRYSTAL COULD NOT BE REPRODUCED., pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 1 (mM) | |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | AAA | 2 (mM) | |
| 5 | 1 | reservoir | sodium cacodylate | 50 (mM) | |
| 6 | 1 | reservoir | 10 (mM) | ||
| 7 | 1 | reservoir | 10 (mM) | ||
| 8 | 1 | reservoir | PEG8000 | 25-30 (%(w/v)) |
