6O5G
Calmodulin in complex with isomalbrancheamide D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-20 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9839 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 50.858, 56.754, 117.168 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.876 - 1.890 |
R-factor | 0.1912 |
Rwork | 0.187 |
R-free | 0.22550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hex |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.060 | 39.060 | 1.930 |
High resolution limit [Å] | 1.890 | 9.070 | 1.890 |
Rmerge | 0.086 | 0.055 | 0.559 |
Total number of observations | 181550 | 1611 | 11737 |
Number of reflections | 13939 | 157 | 866 |
<I/σ(I)> | 18.3 | 38.6 | 5.2 |
Completeness [%] | 99.8 | 99.6 | 100 |
Redundancy | 13 | 10.3 | 13.6 |
CC(1/2) | 0.998 | 0.996 | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris pH 8.5, 0.2 M MgCl2, 20% PEG 8000 |