7NPA
Crystal structure of the Coenzyme F420-dependent sulfite reductase from Methanothermococcus thermolithotrophicus at 1.55-A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-24 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00004 |
Spacegroup name | P 1 |
Unit cell lengths | 113.148, 124.157, 241.062 |
Unit cell angles | 102.28, 95.71, 90.25 |
Refinement procedure
Resolution | 77.290 - 1.550 |
R-factor | 0.1594 |
Rwork | 0.159 |
R-free | 0.17110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7np8 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.276 | 1.689 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.183 | 1.623 |
Rmeas | 0.198 | 1.755 |
Rpim | 0.075 | 0.664 |
Number of reflections | 1396397 | 69018 |
<I/σ(I)> | 8.7 | 1.5 |
Completeness [%] | 94.5 | 70.9 |
Redundancy | 7 | 6.9 |
CC(1/2) | 0.996 | 0.439 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | Fsr from Methanothermococcus thermolithotrophicus was crystallized anaerobically under yellow light at a concentration of 11 mg ml-1 in 25 mM Tris/HCl pH 7.6, 10% v/v glycerol, 2 mM dithiothreitol, 0.5 mM FAD and 0.0155 mM F420H2. 0.6 ul of sample was mixed with 0.6 ul reservoir solution. The reservoir solution contained 0.2 M Lithium sulfate, 0.1 M Bis-Tris, pH 5.5 and 25 % w/v Polyethylene glycol 3350. Crystals appeared after few days. |