3OFJ
Crystal structure of N-methyltransferase NodS from Bradyrhizobium japonicum WM9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8086 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 48.700, 48.700, 141.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.430 |
R-factor | 0.2127 |
Rwork | 0.203 |
R-free | 0.27640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NodS from NodS-SAH complex (3OFK) |
RMSD bond length | 0.018 |
RMSD bond angle | 1.843 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.510 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.087 | 0.440 |
Number of reflections | 6954 | |
<I/σ(I)> | 16.7 | 2.1 |
Completeness [%] | 99.6 | 97.3 |
Redundancy | 6.74 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 292 | 28% PEG 3350, 0.1 M magnesium chloride, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 292K |