4AUI
STRUCTURE AND FUNCTION OF THE PORB PORIN FROM DISSEMINATING N. GONORRHOEAE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.050, 111.470, 88.340 |
| Unit cell angles | 90.00, 102.07, 90.00 |
Refinement procedure
| Resolution | 38.050 - 3.200 |
| R-factor | 0.2236 |
| Rwork | 0.221 |
| R-free | 0.26790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3A2R |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.938 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 3.400 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.230 | 0.920 |
| Number of reflections | 14044 | |
| <I/σ(I)> | 5.9 | 1.7 |
| Completeness [%] | 98.0 | 95.4 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
