6NXM
Crystal structure of computationally designed protein XAA_GVDQ
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 | 2017-10-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.1111 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.045, 58.282, 58.793 |
Unit cell angles | 90.00, 125.05, 90.00 |
Refinement procedure
Resolution | 48.133 - 2.200 |
R-factor | 0.2483 |
Rwork | 0.246 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_3026) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.133 | 1.890 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.041 | |
Rmeas | 0.045 | |
Rpim | 0.018 | |
Number of reflections | 23257 | 1365 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 92.4 | 54.62 |
Redundancy | 6.3 | |
CC(1/2) | 0.011 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 2.0 M sodium formate, 0.1 M sodium acetate pH 4.6 |