1QIV
CALMODULIN COMPLEXED WITH N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE (DPD), 1:2 COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 40.125, 40.125, 173.814 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.580 - 2.640 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lin |
| RMSD bond length | 0.006 |
| RMSD bond angle | 24.230 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.580 | 2.720 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.058 | 0.123 |
| Total number of observations | 107694 * | |
| Number of reflections | 4969 | |
| <I/σ(I)> | 20.6 | 9 |
| Completeness [%] | 92.7 | 76.2 |
| Redundancy | 4.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | PROTEIN WAS CRYSTALLIZED BY HANGING DROP TECHNIQUE AT ROOM TEMPERATURE FROM 50 MM PH=5.0 SODIUM CACODYLATE/HCL BUFFER, 10 MM MGCL2, 10 MM CACL2, 2MM DPD AND 28% PEG 8000. CRYSTAL GROWTH TOOK 2-3 WEEKS., pH 5.00 |
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)) |
