4WJ7
CCM2 PTB domain in complex with KRIT1 NPxY/F3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97926 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 110.938, 110.938, 315.255 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.669 - 2.753 |
R-factor | 0.2218 |
Rwork | 0.220 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Ensemble search model of PDB IDs: 4JIF 3so6 3g9w 3hqc 3dxe 2ej8 2v76 1j0w 1wvh 2cy4 2dyq 1qqg 1x11 and 1AQC |
RMSD bond length | 0.004 |
RMSD bond angle | 0.868 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.114 | |
Number of reflections | 30768 | |
<I/σ(I)> | 23 | 1.21 |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.9 | 19 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% (w/v) PEG 6000, 0.1M HEPES |