2I2X
Crystal structure of methanol:cobalamin methyltransferase complex MtaBC from Methanosarcina barkeri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-12-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9393 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 101.750, 172.850, 190.540 |
Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.18426 |
Rwork | 0.182 |
R-free | 0.23146 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.385 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXD |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.133 | 0.445 |
Number of reflections | 218403 | |
<I/σ(I)> | 9.4 | 3.1 |
Completeness [%] | 95.3 | 89.3 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M sodium acetate, 0.05 M ammonium sulphate, 17% polyethyleneglycol, 15% glycerole, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M sodium acetate, 0.05 M ammonium sulphate, 17% polyethyleneglycol, 15% glycerole, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M sodium acetate, 0.05 M ammonium sulphate, 17% polyethyleneglycol, 15% glycerole, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |