8BCT
X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.893, 78.322, 81.550 |
| Unit cell angles | 90.00, 107.97, 90.00 |
Refinement procedure
| Resolution | 39.160 - 1.700 |
| R-factor | 0.1937 |
| Rwork | 0.193 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CC-HP1.0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.620 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.160 | 39.160 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.048 | 0.021 | 1.070 |
| Rmeas | 0.052 | 0.023 | 2.793 |
| Rpim | 0.020 | 0.008 | 0.435 |
| Number of reflections | 72542 | 411 | 3022 |
| <I/σ(I)> | 15.3 | 75.2 | 1.7 |
| Completeness [%] | 100.0 | 98.7 | 100 |
| Redundancy | 6.9 | 6.6 | 7 |
| CC(1/2) | 1.000 | 1.000 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 2.0 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6 |
