7NP8
Crystal structure of the Coenzyme F420-dependent sulfite reductase from Methanocaldococcus jannaschii at 2.3-A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97857 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 167.258, 172.202, 195.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.820 - 2.300 |
R-factor | 0.1829 |
Rwork | 0.182 |
R-free | 0.20470 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.384 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | CRANK2 (2.0.227) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.823 | 2.410 |
High resolution limit [Å] | 2.299 | 2.300 |
Rmerge | 0.251 | 1.623 |
Rmeas | 0.261 | 1.688 |
Rpim | 0.070 | 0.459 |
Number of reflections | 104064 | 5203 |
<I/σ(I)> | 8.3 | 1.6 |
Completeness [%] | 96.0 | 94.8 |
Redundancy | 13.9 | 13.2 |
CC(1/2) | 0.995 | 0.629 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | Purified Fsr from Methanocaldococcus jannaschii was crystallized anaerobically under yellow light at a concentration of 6.1 mg ml-1 in 25 mM Tris/HCl pH 7.6, 10% v/v glycerol and 2 mM dithiothreitol. 0.5 ul protein sample was mixed with 0.5 ul reservoir of crystallization solution containing 45% v/v 2-Methyl-2,4-pentandiol, 100 mM Bis-Tris pH 5.5 and 200 mM Calcium chloride. Crystals appeared after a few days. |