4IWN
Crystal structure of a putative methyltransferase CmoA in complex with a novel SAM derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 77.120, 91.380, 70.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.890 - 1.730 |
R-factor | 0.1975 |
Rwork | 0.196 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1im8 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.700 |
Data scaling software | SCALA (3.3.16) |
Phasing software | MrBUMP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.890 | 55.890 | 1.780 |
High resolution limit [Å] | 1.730 | 7.740 | 1.730 |
Rmerge | 0.021 | 0.648 | |
Total number of observations | 2891 | 19274 | |
Number of reflections | 52750 | ||
<I/σ(I)> | 15.1 | 25.3 | 1.2 |
Completeness [%] | 99.9 | 97.2 | 100 |
Redundancy | 5 | 4.4 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | Morpheus crystallization screen (Molecular Dimensions) condition E8: 0.3 M diethylene glycol, 0.3 M triethylene glycol, 0.3 M tetraethylene glycol, 0.3 M pentaethylene glycol, 0.1 M MOPS/HEPES sodium, pH 7.5, 12.5% w/v PEG1000, 12.5% w/v PEG3350, 12.5% w/v MPD, VAPOR DIFFUSION, SITTING DROP, temperature 294K |