4KR8
Salmonella typhi OmpF complex with Daunomycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.714, 132.390, 150.022 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.100 |
| R-factor | 0.29681 |
| Rwork | 0.293 |
| R-free | 0.36564 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nsg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.490 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.170 |
| High resolution limit [Å] | 3.100 | 7.640 | 3.100 |
| Rmerge | 0.109 | 0.039 | 0.538 |
| Number of reflections | 30981 | ||
| <I/σ(I)> | 7.2 | 26.69 | 1.93 |
| Completeness [%] | 98.5 | 99.1 | 91.1 |
| Redundancy | 3.9 | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1M Tri sodium citrate pH5.6, 0.25M potassium sodium tartrate, 2M Ammonium sulphate , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
