5XEM
Crystal structure of a hydrogen sulfide-producing enzyme (Fn1220) from Fusobacterium nucleatum in complex with L-lanthionine-PLP Schiff base
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 | 2010-03-04 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 116.749, 116.749, 99.343 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.120 - 1.840 |
| R-factor | 0.17183 |
| Rwork | 0.170 |
| R-free | 0.20367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.451 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.374 | 1.890 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.070 | 0.241 |
| Number of reflections | 60021 | 4358 |
| <I/σ(I)> | 41.4 | 15.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 29 | 29.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 41% (v/v) PEG 600, 0.1M Hepes pH 7.5, 0.17M Calcium acetate |
