6X20
PDZ domain from choanoflagellate GIPC (mbGIPC) bound to B1AR peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-12-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.977410 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 29.787, 34.841, 81.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.802 - 1.402 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5v6b |
RMSD bond length | 0.005 |
RMSD bond angle | 0.729 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.802 | 1.590 | 1.490 |
High resolution limit [Å] | 1.402 | 1.490 | 1.402 |
Number of reflections | 17334 | 2872 | 5196 |
<I/σ(I)> | 21.58 | 2.67 | 1.34 |
Completeness [%] | 99.9 | 100 | 99.5 |
Redundancy | 6.69 | 6.57 | 6.16 |
CC(1/2) | 1.000 | 0.860 | 0.632 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M sodium malonate, pH 7.0, 20% w/v PEG3350 |