7FBB
De novo design protein D12 with MBP tag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-22 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.078, 112.814, 84.658 |
| Unit cell angles | 90.00, 96.86, 90.00 |
Refinement procedure
| Resolution | 23.906 - 2.307 |
| R-factor | 0.2272 |
| Rwork | 0.225 |
| R-free | 0.26350 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.741 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.400 | 67.400 | 2.430 |
| High resolution limit [Å] | 2.307 | 7.290 | 2.310 |
| Rmerge | 0.200 | 0.180 | 0.678 |
| Rmeas | 0.217 | 0.194 | 0.735 |
| Rpim | 0.082 | 0.072 | 0.281 |
| Total number of observations | 10583 | 45353 | |
| Number of reflections | 46076 | 1512 | 6727 |
| <I/σ(I)> | 6.3 | 9 | 2.8 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 6.9 | 7 | 6.7 |
| CC(1/2) | 0.976 | 0.962 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 25% PEG 3350, 0.1M Sodium Acetate |
