4Z3E
Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P212121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.210, 52.220, 76.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.100 - 1.800 |
| R-factor | 0.1804 |
| Rwork | 0.178 |
| R-free | 0.22402 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j8s |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.365 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.100 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.081 | 0.680 |
| Number of reflections | 17523 | |
| <I/σ(I)> | 19.3 | 3.5 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 8.5 | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.15M ZnAcetate, 0.05M ZnCl2, 0.1MTris pH 7.5, 13% PEG6000 |
