7UIJ
Structural studies of B5-OspC complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 54.729, 139.858, 205.669 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.469 - 2.701 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ki5 3rkd 1ggq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.783 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.083 | 0.033 | 1.448 |
| Rmeas | 0.093 | 0.037 | 1.612 |
| Rpim | 0.040 | 0.016 | 0.698 |
| Total number of observations | 230675 | ||
| Number of reflections | 44184 | 2442 | 2177 |
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 99.6 | 99.7 | 99.6 |
| Redundancy | 5.2 | 5.5 | 5.1 |
| CC(1/2) | 0.999 | 0.495 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM sodium cacodylate pH 6.5, 5% PEG 8K, and 40% MPD |
