5NXU
Complex structure with maltose of Providencia stuartii Omp-Pst1 porin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.200, 127.120, 150.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 97.170 - 3.000 |
| R-factor | 0.21314 |
| Rwork | 0.211 |
| R-free | 0.25489 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d64 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.738 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.700 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.114 | 1.340 |
| Number of reflections | 40456 | 2985 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 5.04 | 5.34 |
| CC(1/2) | 0.997 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 14% PEG 6000 MME, 0.1 M MES pH 6.5, 0.1 M MgCl2 |
