6YNS
CaM-P458 complex (crystal form 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-07 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.966 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.001, 106.974, 221.635 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.860 - 3.940 |
R-factor | 0.2248 |
Rwork | 0.222 |
R-free | 0.28410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ctr |
RMSD bond length | 0.016 |
RMSD bond angle | 1.734 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.860 | 4.079 |
High resolution limit [Å] | 3.938 | 3.938 |
Rmerge | 0.189 | 0.736 |
Rmeas | 0.205 | 0.794 |
Number of reflections | 21073 | 2063 |
<I/σ(I)> | 8.15 | 3.03 |
Completeness [%] | 99.5 | |
Redundancy | 6.6 | |
CC(1/2) | 0.997 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 300 | 0.2M of MgCl2 0.1M HEPES-HCl pH 7.5 25% (w/v) PEG3350 |