5B53
Crystal structure of hydrogen sulfide-producing enzyme (Fn1055) from Fusobacterium nucleatum
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 | 2011-02-27 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 58.793, 58.793, 205.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.640 - 2.910 |
R-factor | 0.17502 |
Rwork | 0.171 |
R-free | 0.26555 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o58 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.150 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.640 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.137 | 0.300 |
Number of reflections | 8510 | |
<I/σ(I)> | 17.4 | 8.5 |
Completeness [%] | 98.5 | 98.6 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 4% (w/v) PEG 8000, 0.1M Hepes pH 7.5 |