3BNJ
W. succinogenes NrfA Y218F Sulfite Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 119.400, 119.400, 184.789 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.390 - 1.300 |
| R-factor | 0.18262 |
| Rwork | 0.181 |
| R-free | 0.20778 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fs7 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.326 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.390 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 161601 | |
| <I/σ(I)> | 15.3 | 2 |
| Completeness [%] | 98.3 | 93.5 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | PEG 4000, ammonium aulfate, yttrium chloride, acetate buffer, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
