6OF8
Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CamKII-alpha hub domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.115830 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.985, 121.343, 56.239 |
Unit cell angles | 90.00, 108.15, 90.00 |
Refinement procedure
Resolution | 47.505 - 2.100 |
R-factor | 0.2236 |
Rwork | 0.222 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hkx |
RMSD bond length | 0.002 |
RMSD bond angle | 0.511 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.760 | 47.760 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.039 | 0.020 | 0.831 |
Rmeas | 0.047 | 0.025 | 1.003 |
Rpim | 0.026 | 0.014 | 0.557 |
Number of reflections | 60334 | 691 | 4324 |
<I/σ(I)> | 13 | 43.7 | 1.3 |
Completeness [%] | 99.5 | 98.9 | 96.7 |
Redundancy | 3.1 | 3.1 | 3.1 |
CC(1/2) | 0.999 | 0.930 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 17 mg/mL mutant hub in 25 mM Tris, 150 mM KCl, 10% (v/v) glycerol, 2 mM DTT, 1 mM TCEP, pH 8.0 was mixed 1:1 with 235 mM K3Citrate, 15% (w/v) PEG 3350, pH 8.0 |