4I8O
Crystal structure of the toxin RnlA from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 1W2B |
| Synchrotron site | BSRF |
| Beamline | 1W2B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.207, 64.321, 82.623 |
| Unit cell angles | 69.24, 79.53, 75.03 |
Refinement procedure
| Resolution | 36.504 - 2.104 |
| R-factor | 0.1958 |
| Rwork | 0.196 |
| R-free | 0.22920 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.210 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 0.635 |
| Number of reflections | 118145 | |
| <I/σ(I)> | 26.85 | 2.85 |
| Completeness [%] | 100.0 | 95.7 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES, 2.0 M ammonium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
