1IWQ
Crystal Structure of MARCKS calmodulin binding domain peptide complexed with Ca2+/Calmodulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45PX |
| Synchrotron site | SPring-8 |
| Beamline | BL45PX |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-19 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.02 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 40.229, 40.229, 343.468 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.22513 |
| Rwork | 0.223 |
| R-free | 0.26900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qiv |
| RMSD bond length | 0.021 * |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.079 | 0.270 |
| Total number of observations | 91390 * | |
| Number of reflections | 11956 | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 95.9 | 98 |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | PEG 6000, sodium acetate, calcium chrolide, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 30 (%(w/v)) | |
| 2 | 1 | reservoir | 5 (mM) | ||
| 3 | 1 | reservoir | sodium acetate | 100 (mM) | pH6.5 |
