4KR4
Salmonella typhi OmpF complex with Ampicillin
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 | 2011-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.120, 138.480, 150.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.800 |
| R-factor | 0.28968 |
| Rwork | 0.286 |
| R-free | 0.36592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nsg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.476 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 102.057 | 47.303 | 4.010 |
| High resolution limit [Å] | 3.800 | 12.020 | 3.800 |
| Rmerge | 0.171 | 0.058 | 0.586 |
| Number of reflections | 18232 | ||
| <I/σ(I)> | 13.5 | 7 | 1 |
| Completeness [%] | 99.9 | 97.8 | 100 |
| Redundancy | 14.4 | 12.4 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1M Tri sodium citrate pH 5.6, 0.25M potassium sodium tartrate, 2M Ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
