5B55
Crystal structure of hydrogen sulfide-producing enzyme (Fn1055) D232N mutant in complexed with alpha-aminoacrylate intermediate: lysine-dimethylated form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2011-11-30 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.046, 57.127, 94.293 |
| Unit cell angles | 90.00, 100.89, 90.00 |
Refinement procedure
| Resolution | 36.660 - 2.140 |
| R-factor | 0.20288 |
| Rwork | 0.201 |
| R-free | 0.23710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b53 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.851 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.430 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.066 | 0.250 |
| Number of reflections | 52807 | |
| <I/σ(I)> | 20.8 | 7.3 |
| Completeness [%] | 95.6 | 95.3 |
| Redundancy | 7.6 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 24% (w/v) PEG3350, 0.1M Hepes pH 7.5, 0.2M Magnesium chloride hexahydrate |
