6NEK
Crystal structure of a consensus PDZ domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-03-19 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0003 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 53.620, 60.090, 73.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.470 - 1.630 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w4f |
RMSD bond length | 0.019 |
RMSD bond angle | 1.921 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.490 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.016 | 0.471 |
Rmeas | 0.023 | 0.666 |
Rpim | 0.016 | 0.471 |
Number of reflections | 15141 | 1488 |
<I/σ(I)> | 27.5 | 1.5 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 2 | 2 |
CC(1/2) | 0.996 | 0.704 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 291 | 0.5M LiSO4 2% w/v PEG 8000 |