7NKG
Methyl-coenzyme M reductase from Methermicoccus shengliensis at 1.6-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 | 2019-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 132.615, 148.177, 235.415 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.360 - 1.600 |
R-factor | 0.1734 |
Rwork | 0.172 |
R-free | 0.19040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e6y |
RMSD bond length | 0.007 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.2) |
Refinement software | BUSTER (2.10.3 (19-MAR-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.410 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.091 | 1.216 |
Rmeas | 0.105 | 1.388 |
Rpim | 0.051 | 0.661 |
Number of reflections | 602614 | 87124 |
<I/σ(I)> | 8.3 | 1 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 4.2 | 4.3 |
CC(1/2) | 0.997 | 0.356 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | The protein sample was at 47 g/l in 25 mM Tris/HCl pH 7.6, 10% v/v glycerol and 2 mM dithiothreitol. MCR crystals were obtained aerobically by using the sitting drop method on 96-Well MRC 2-Drop Crystallization Plates in polystyrene (SWISSCI). The crystallization reservoir contained 90 ul of mother liquor; the crystallization drop contained a mixture of 0.6 ul protein sample and 0.6 ul of crystallization solution. The crystallization solution contained 25% w/v polyethylene glycol 3350, 100 mM Bis-Tris pH 5.5 and 200 mM lithium sulfate. |