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 |