6C5K
S25-23 Fab in complex with Chlamydiaceae LPS (Crystal form 2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.649, 62.710, 107.071 |
| Unit cell angles | 90.00, 116.09, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.750 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m7j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.065 | 0.619 |
| Number of reflections | 103537 | 7032 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.2 M Potassium nitrate, 20% [w/v] polyethylene glycol 3350 |
