6AKQ
The PDZ tandem fragment of A. aeolicus S2P homolog with the PA12 tag inserted between the residues 263 and 267
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-27 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.234, 54.799, 68.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.750 - 1.900 |
R-factor | 0.2027 |
Rwork | 0.200 |
R-free | 0.25438 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wkl |
RMSD bond length | 0.008 |
RMSD bond angle | 1.671 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.750 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.176 | 2.746 |
Number of reflections | 15147 | 948 |
<I/σ(I)> | 10.6 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.4 | 13.2 |
CC(1/2) | 0.997 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23-25%(w/v) PEG 3350, 200mM Bis-Tris-Cl (pH 6.5) |