3GLN
Carbonmonoxy Ngb under Xenon pressure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.2 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 88.680, 88.680, 109.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.470 - 2.260 |
| R-factor | 0.19474 |
| Rwork | 0.192 |
| R-free | 0.25444 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1w92 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.814 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.500 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.056 | 0.210 |
| Number of reflections | 7884 | |
| Completeness [%] | 97.5 | 84.7 |
| Redundancy | 9.3 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M ammonium sulphate, 0.1M MES, pH6.5, 10%(v/v) dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
