3C1J
Substrate binding, deprotonation and selectivity at the periplasmic entrance of the E. coli ammonia channel AmtB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 63 |
| Unit cell lengths | 110.230, 110.230, 84.642 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.18285 |
| Rwork | 0.181 |
| R-free | 0.20974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xqf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.999 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 38571 | |
| <I/σ(I)> | 17.74 | 3.44 |
| Completeness [%] | 97.5 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 26% PEG 550, 0.1M sodium acetate, 0.2M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
