5N28
METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS MONOCLINIC FORM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99998 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.680, 81.160, 154.950 |
Unit cell angles | 90.00, 107.80, 90.00 |
Refinement procedure
Resolution | 48.430 - 2.800 |
R-factor | 0.1936 |
Rwork | 0.193 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MCRII from Methanothermobacter wolfeii PDB:5A8W |
RMSD bond length | 0.008 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.2.08) |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.360 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.103 | 0.755 |
Rpim | 0.050 | 0.371 |
Number of reflections | 60676 | 8783 |
<I/σ(I)> | 10.8 | 2.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5 | 5 |
CC(1/2) | 0.997 | 0.317 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2 ul of MCR III from M. formicicus (35 mg/ml) and 1 ul of reservoir solution containing 20% PEG 8000 (w/v), 100 mM MES pH 7.0. The cryoprotection solution contains 20% PEG 8000 (w/v), 100 mM MES pH 7.0, 25% ethylene glycol (v/v). |