6Z6A
Keap1 macrocycle complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.07227 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.650, 75.800, 203.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.370 - 2.370 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zgk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.370 | 47.370 | 2.450 |
| High resolution limit [Å] | 2.370 | 9.180 | 2.370 |
| Rmerge | 0.077 | 0.027 | 1.490 |
| Rmeas | 0.084 | 0.030 | 1.628 |
| Rpim | 0.033 | 0.012 | 0.648 |
| Total number of observations | 312117 | 5720 | 29041 |
| Number of reflections | 48272 | 948 | 4662 |
| <I/σ(I)> | 15.4 | 41.7 | 1.3 |
| Completeness [%] | 99.9 | 99 | 99.9 |
| Redundancy | 6.5 | 6 | 6.2 |
| CC(1/2) | 0.999 | 0.999 | 0.527 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 nL of protein (11-13 mg / mL) and 200 nL of well solution (3.7 to 4.1 M ammonium acetate, 0.09 M sodium acetate pH 4.6 and 10 mM cadmium chloride). |
