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 |