7JWG
OspA-Fab 221-7 complex structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-09-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 173.383, 99.263, 121.616 |
| Unit cell angles | 90.00, 103.49, 90.00 |
Refinement procedure
| Resolution | 48.906 - 3.050 |
| R-factor | 0.2705 |
| Rwork | 0.269 |
| R-free | 0.30560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hwb |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.881 |
| Data reduction software | DENZO |
| 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 | 3.100 |
| High resolution limit [Å] | 3.050 | 8.270 | 3.050 |
| Rmerge | 0.166 | 0.030 | 2.002 |
| Rmeas | 0.193 | 0.035 | 2.326 |
| Rpim | 0.099 | 0.018 | 1.182 |
| Total number of observations | 143795 | ||
| Number of reflections | 38023 | 1961 | 1890 |
| <I/σ(I)> | 3.7 | ||
| Completeness [%] | 99.2 | 99.5 | 98.6 |
| Redundancy | 3.8 | 3.7 | 3.8 |
| CC(1/2) | 0.999 | 0.535 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM NaCacodylate pH 6.5, 5% PEG 8K, and 40% MPD |
