7ZRQ
1.68 Angstrom crystal structure of Ca/CaM-E140G:CaMKIIdelta peptide complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-11 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.380, 54.520, 57.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.590 - 1.680 |
Rwork | 0.205 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wel |
RMSD bond length | 0.008 |
RMSD bond angle | 1.366 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.590 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.048 | 2.042 |
Rmeas | 0.057 | 2.522 |
Rpim | 0.030 | 1.452 |
Number of reflections | 15287 | 684 |
<I/σ(I)> | 13.5 | 0.6 |
Completeness [%] | 99.1 | 87.8 |
Redundancy | 6.3 | 4.6 |
CC(1/2) | 1.000 | 0.311 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M Na+-HEPES, 0.1 M MOPS (acid), pH 7.5, 0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate, 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350 |