6W68
The structure of V98A S172A Keap1-BTB domain
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 | 2018-09-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 42.621, 42.621, 268.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.910 - 2.550 |
| R-factor | 0.2762 |
| Rwork | 0.274 |
| R-free | 0.32580 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4cxi |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.816 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.911 | 36.910 | 2.660 |
| High resolution limit [Å] | 2.550 | 8.840 | 2.550 |
| Rmerge | 0.167 | 0.025 | 3.271 |
| Rmeas | 0.177 | 0.027 | 3.456 |
| Rpim | 0.055 | 0.010 | 1.090 |
| Total number of observations | 1336 | 6136 | |
| Number of reflections | 5392 | 185 | 646 |
| <I/σ(I)> | 11.9 | 51.4 | 0.8 |
| Completeness [%] | 99.8 | 99.8 | 99.5 |
| Redundancy | 9.6 | 7.2 | 9.5 |
| CC(1/2) | 0.999 | 0.999 | 0.405 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 160-400 mM lithium acetate and 14-18% PEG 3350 1:1 with protein at 11mg/ml in 150 mM NaCl, 25 mM Tris-HCl pH 8.0, 1 mM TCEP |
